Unnamed: 0
int64 0
445k
| level_0
int64 0
1.94M
| index
float64 0
1.81M
⌀ | original_rxn
stringlengths 104
2.67k
| fragments
stringlengths 6
161
⌀ | source
stringlengths 11
26
| year
int64 1.98k
2.02k
| mapped_rxn
stringlengths 110
2.63k
| confidence
float64 0
1
| canonical_rxn_with_fragment_info
stringlengths 25
599
| canonical_rxn
stringlengths 25
599
| ID
stringlengths 17
32
| reaction_hash
stringlengths 56
56
| reactants
stringlengths 55
1.33k
| products
stringlengths 51
1.3k
| retro_template
stringlengths 46
417
| template_hash
stringclasses 1k
values | selectivity
float64 0
1
| outcomes
float64 1
15
| reagents
stringlengths 1
370
⌀ | labels
int64 0
999
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
57,861 | 246,947 | 416,294 |
C([O:8][C:9]1[CH:10]=[C:11]([O:16][S:17]([C:20]2[C:29]3[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=3)[CH:23]=[CH:22][CH:21]=2)(=[O:19])=[O:18])[CH:12]=[C:13]([CH3:15])[CH:14]=1)C1C=CC=CC=1>[Pd].C(O)C>[OH:8][C:9]1[CH:10]=[C:11]([O:16][S:17]([C:20]2[C:29]3[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=3)[CH:23]=[CH:22][CH:21]=2)(=[O:19])=[O:18])[CH:12]=[C:13]([CH3:15])[CH:14]=1
| null |
US05792769_
| 1,998 |
CCO.[Pd].c1ccc(C[O:5][c:4]2[cH:3][c:2]([CH3:1])[cH:22][c:7]([O:8][S:9](=[O:10])(=[O:11])[c:12]3[cH:13][cH:14][cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]34)[cH:6]2)cc1>>[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:6][c:7]([O:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:22]1
| 0.548718 |
CCO.Cc1cc(OCc2ccccc2)cc(OS(=O)(=O)c2cccc3ccccc23)c1.[Pd]>>Cc1cc(O)cc(OS(=O)(=O)c2cccc3ccccc23)c1
|
CCO.Cc1cc(OCc2ccccc2)cc(OS(=O)(=O)c2cccc3ccccc23)c1.[Pd]>>Cc1cc(O)cc(OS(=O)(=O)c2cccc3ccccc23)c1
|
US05792769_grants
|
266d5f9d73669443e3269bd736e82e77813e39b731d757633c94312f
|
CCO.[Pd].c1ccc(C[O:5][c:4]2[cH:3][c:2]([CH3:1])[cH:22][c:7]([O:8][S:9](=[O:10])(=[O:11])[c:12]3[cH:13][cH:14][cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]34)[cH:6]2)cc1
|
[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:6][c:7]([O:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][cH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[cH:22]1
|
([OH;D1;+0:2]-[c:1])>>([c:1]-[O;H0;D2;+0:2]-C-c1:c:c:c:c:c:1)
|
5aae93a61569145ed18632d801932cdc99b7a496825e1c5156904263
| 1 | 1 |
CCO.[Pd]
| 23 |
346,197 | 411,986 | null |
[C:1]1([CH3:9])[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][NH2:8].C(N(CC)CC)C.Cl[C:18]([C:20]12[CH2:29][CH:24]3[CH2:25][CH:26]([CH2:28][CH:22]([CH2:23]3)[CH2:21]1)[CH2:27]2)=[O:19].C([O-])(=O)C.[NH4+]>O1CCCC1.O.C(#N)C>[CH3:9][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][NH:8][C:18]([C:20]12[CH2:29][CH:24]3[CH2:23][CH:22]([CH2:28][CH:26]([CH2:25]3)[CH2:27]1)[CH2:21]2)=[O:19]
|
|f:3.4|
|
US20060276505A1_0103
| 2,006 |
C1CCOC1.CC#N.CC(=O)[O-].CCN(CC)CC.Cl[C:10](=[O:11])[C:12]12[CH2:13][CH:14]3[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]3)[CH2:20]1)[CH2:21]2.O.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[NH:8][NH2:9].[NH4+]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[NH:8][NH:9][C:10](=[O:11])[C:12]12[CH2:13][CH:14]3[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]3)[CH2:20]1)[CH2:21]2
| 0.627879 |
C1CCOC1.CC#N.CC(=O)[O-]~[NH4+].CCN(CC)CC.Cc1ccccc1NN.O.O=C(Cl)C12CC3CC(CC(C3)C1)C2>>Cc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2
|
C1CCOC1.CC#N.CC(=O)[O-].CCN(CC)CC.Cc1ccccc1NN.O.O=C(Cl)C12CC3CC(CC(C3)C1)C2.[NH4+]>>Cc1ccccc1NNC(=O)C12CC3CC(CC(C3)C1)C2
|
US20060276505A1_0103apps
|
276354d509d59d5582a4982fc42f0061002009c06e7ac229ade76048
|
C1CCOC1.CC#N.CC(=O)[O-].CCN(CC)CC.Cl[C:10](=[O:11])[C:12]12[CH2:13][CH:14]3[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]3)[CH2:20]1)[CH2:21]2.O.[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[NH:8][NH2:9].[NH4+]
|
[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[NH:8][NH:9][C:10](=[O:11])[C:12]12[CH2:13][CH:14]3[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]3)[CH2:20]1)[CH2:21]2
|
([#7:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([#7:4]-[NH2;D1;+0:5])
|
1ee1f445b33d6fc30e4e598011996da4b2a7bc05e9c3daf9b738b904
| 1 | 1 |
C1CCOC1.CC#N.CC(=O)[O-].CCN(CC)CC.O.[NH4+]
| 450 |
277,066 | 908,467 | 1,516,492 |
[Br:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[N+:11]([O-:13])=[O:12])[N:4]([CH2:14][C:15]([O:17]CC)=O)[N:3]=1.[NH2:20][NH2:21]>CCO>[Br:1][C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[N+:11]([O-:13])=[O:12])[N:4]([CH2:14][C:15]([NH:20][NH2:21])=[O:17])[N:3]=1
| null |
US08841455B2_0964
| 2,014 |
CCO.CCO[C:3](=[O:4])[CH2:5][n:6]1[n:7][c:8]([Br:9])[c:10]2[c:11]([N+:12](=[O:13])[O-:14])[cH:15][cH:16][cH:17][c:18]12.[NH2:1][NH2:2]>>[NH2:1][NH:2][C:3](=[O:4])[CH2:5][n:6]1[n:7][c:8]([Br:9])[c:10]2[c:11]([N+:12](=[O:13])[O-:14])[cH:15][cH:16][cH:17][c:18]12
| 0.584868 |
CCO.CCOC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21.NN>>NNC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21
|
CCO.CCOC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21.NN>>NNC(=O)Cn1nc(Br)c2c([N+](=O)[O-])cccc21
|
US08841455B2_0964grants
|
7846ab130152cee64368d2423bdd59ef688aea1757daf91c46d065d4
|
CCO.CCO[C:3](=[O:4])[CH2:5][n:6]1[n:7][c:8]([Br:9])[c:10]2[c:11]([N+:12](=[O:13])[O-:14])[cH:15][cH:16][cH:17][c:18]12.[NH2:1][NH2:2]
|
[NH2:1][NH:2][C:3](=[O:4])[CH2:5][n:6]1[n:7][c:8]([Br:9])[c:10]2[c:11]([N+:12](=[O:13])[O-:14])[cH:15][cH:16][cH:17][c:18]12
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:5]-[N;D1;H2:4])>>(C-C-O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([N;D1;H2:4]-[NH2;D1;+0:5])
|
c0699a77fafc46c8c9b052a148873c5b25b385e0a4464ef373f999c1
| 1 | 1 |
CCO
| 164 |
228,910 | 766,409 | 1,263,050 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]2[CH:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]3[CH:21]=[C:20]([N+:22]([O-])=O)[CH:19]=[CH:18][C:17]=3[CH3:25])[N:10]=2)[CH:6]=[N:7][CH:8]=1.CC1C(NC2N=C(C3C=NC=C(N4CCCC4)C=3)C=CN=2)=CC(N)=CC=1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]2[CH:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]3[CH:21]=[C:20]([NH2:22])[CH:19]=[CH:18][C:17]=3[CH3:25])[N:10]=2)[CH:6]=[N:7][CH:8]=1
| null |
US08338417B2_0130
| 2,012 |
Cc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCCC3)c2)n1.O=[N+:17]([O-])[c:16]1[cH:15][c:14]([NH:13][c:12]2[n:11][cH:10][cH:9][c:8](-[c:7]3[cH:6][n:5][cH:4][c:3]([O:2][CH3:1])[cH:23]3)[n:22]2)[c:20]([CH3:21])[cH:19][cH:18]1>>[CH3:1][O:2][c:3]1[cH:4][n:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][n:11][c:12]([NH:13][c:14]3[cH:15][c:16]([NH2:17])[cH:18][cH:19][c:20]3[CH3:21])[n:22]2)[cH:23]1
| 0.769091 |
COc1cncc(-c2ccnc(Nc3cc([N+](=O)[O-])ccc3C)n2)c1.Cc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCCC3)c2)n1>>COc1cncc(-c2ccnc(Nc3cc(N)ccc3C)n2)c1
|
COc1cncc(-c2ccnc(Nc3cc([N+](=O)[O-])ccc3C)n2)c1.Cc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCCC3)c2)n1>>COc1cncc(-c2ccnc(Nc3cc(N)ccc3C)n2)c1
|
US08338417B2_0130grants
|
5ac98c5e5ccc165498f87f57c34345c6da78880fdede7b9b290e1f48
|
Cc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCCC3)c2)n1.O=[N+:17]([O-])[c:16]1[cH:15][c:14]([NH:13][c:12]2[n:11][cH:10][cH:9][c:8](-[c:7]3[cH:6][n:5][cH:4][c:3]([O:2][CH3:1])[cH:23]3)[n:22]2)[c:20]([CH3:21])[cH:19][cH:18]1
|
[CH3:1][O:2][c:3]1[cH:4][n:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][n:11][c:12]([NH:13][c:14]3[cH:15][c:16]([NH2:17])[cH:18][cH:19][c:20]3[CH3:21])[n:22]2)[cH:23]1
|
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
|
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
| 1 | 1 |
Cc1ccc(N)cc1Nc1nccc(-c2cncc(N3CCCC3)c2)n1
| 1 |
261,870 | 863,959 | 1,438,400 |
C(OC([NH:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][CH:17]2[CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)=[CH:12][N:11]=1)=O)(C)(C)C.Cl>CO>[NH2:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)=[CH:12][N:11]=1
| null |
US08680091B2_0548
| 2,014 |
CC(C)(C)OC(=O)[NH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:15][n:16]1.CO.Cl>>[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:15][n:16]1
| 0.949907 |
CC(C)(C)OC(=O)NCc1ccc(OC2CCCCCC2)cn1.CO.Cl>>NCc1ccc(OC2CCCCCC2)cn1
|
CC(C)(C)OC(=O)NCc1ccc(OC2CCCCCC2)cn1.CO.Cl>>NCc1ccc(OC2CCCCCC2)cn1
|
US08680091B2_0548grants
|
d4eaac9d0eca4f92e00c36235c2e7cfc981f39c95b10d6d150c364be
|
CC(C)(C)OC(=O)[NH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:15][n:16]1.CO.Cl
|
[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:15][n:16]1
|
([C:2]-[NH2;D1;+0:1])>>(C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C:2])
|
6c83f45f485301792011c63e6835be21ece3be24f5b32a6e45acc5be
| 1 | 1 |
CO.Cl
| 538 |
302,850 | 985,076 | 1,660,893 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][C:6]([C:12](=[O:14])[CH3:13])=[C:5]2[NH:15][C@H:16]1[CH2:21][CH2:20][C@H:19]([CH2:22][N:23]([CH3:25])[CH3:24])[CH2:18][CH2:17]1.[Cl:26][C:27]1[CH:32]=[C:31](B2OC(C)(C)C(C)(C)O2)[CH:30]=[C:29]([Cl:42])[C:28]=1[OH:43]>>[Cl:26][C:27]1[CH:32]=[C:31]([C:2]2[CH:3]=[C:4]3[C:9](=[CH:10][CH:11]=2)[N:8]=[CH:7][C:6]([C:12](=[O:14])[CH3:13])=[C:5]3[NH:15][C@H:16]2[CH2:21][CH2:20][C@H:19]([CH2:22][N:23]([CH3:24])[CH3:25])[CH2:18][CH2:17]2)[CH:30]=[C:29]([Cl:42])[C:28]=1[OH:43]
| null |
US09120749B2_1705
| 2,015 |
Br[c:10]1[cH:9][cH:8][c:7]2[n:6][cH:5][c:4]([C:2]([CH3:1])=[O:3])[c:22]([NH:23][C@H:24]3[CH2:25][CH2:26][C@H:27]([CH2:28][N:29]([CH3:30])[CH3:31])[CH2:32][CH2:33]3)[c:21]2[cH:20]1.CC1(C)OB([c:11]2[cH:12][c:13]([Cl:14])[c:15]([OH:16])[c:17]([Cl:18])[cH:19]2)OC1(C)C>>[CH3:1][C:2](=[O:3])[c:4]1[cH:5][n:6][c:7]2[cH:8][cH:9][c:10](-[c:11]3[cH:12][c:13]([Cl:14])[c:15]([OH:16])[c:17]([Cl:18])[cH:19]3)[cH:20][c:21]2[c:22]1[NH:23][C@H:24]1[CH2:25][CH2:26][C@H:27]([CH2:28][N:29]([CH3:30])[CH3:31])[CH2:32][CH2:33]1
| 0.558106 |
CC(=O)c1cnc2ccc(Br)cc2c1N[C@@H]1CC[C@@H](CN(C)C)CC1.CC1(C)OB(c2cc(Cl)c(O)c(Cl)c2)OC1(C)C>>CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](CN(C)C)CC1
|
CC(=O)c1cnc2ccc(Br)cc2c1N[C@@H]1CC[C@@H](CN(C)C)CC1.CC1(C)OB(c2cc(Cl)c(O)c(Cl)c2)OC1(C)C>>CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](CN(C)C)CC1
|
US09120749B2_1705grants
|
04a2fa8ad7106136adef02aa40128cc1820673a5c3d71035b7324bbd
|
Br[c:10]1[cH:9][cH:8][c:7]2[n:6][cH:5][c:4]([C:2]([CH3:1])=[O:3])[c:22]([NH:23][C@H:24]3[CH2:25][CH2:26][C@H:27]([CH2:28][N:29]([CH3:30])[CH3:31])[CH2:32][CH2:33]3)[c:21]2[cH:20]1.CC1(C)OB([c:11]2[cH:12][c:13]([Cl:14])[c:15]([OH:16])[c:17]([Cl:18])[cH:19]2)OC1(C)C
|
[CH3:1][C:2](=[O:3])[c:4]1[cH:5][n:6][c:7]2[cH:8][cH:9][c:10](-[c:11]3[cH:12][c:13]([Cl:14])[c:15]([OH:16])[c:17]([Cl:18])[cH:19]3)[cH:20][c:21]2[c:22]1[NH:23][C@H:24]1[CH2:25][CH2:26][C@H:27]([CH2:28][N:29]([CH3:30])[CH3:31])[CH2:32][CH2:33]1
|
([c:5]:[c;H0;D3;+0:4](:[c:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).(C-C1(-C)-O-B(-[c;H0;D3;+0:4](:[c:5]):[c:6])-O-C-1(-C)-C)
|
9070cdd4fb6f1677ab91185ae4f4e0309f05412abddf79c11415d35f
| 0.5 | 2 | null | 933 |
267,261 | 878,983 | 1,463,374 |
[N:1]([C:4]1[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH:7]=[CH:6][CH:5]=1)=[C:2]=[O:3].[C:14]1([CH2:22][OH:23])[CH:19]=[CH:18][C:17]([CH2:20][OH:21])=[CH:16][CH:15]=1>CN(C=O)C.CN(C1C=CN=CC=1)C>[C:4]1([NH:1][C:2](=[O:3])[O:21][CH2:20][C:17]2[CH:18]=[CH:19][C:14]([CH2:22][OH:23])=[CH:15][CH:16]=2)[C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH:7]=[CH:6][CH:5]=1
| null |
US08735622B2_0173
| 2,014 |
CN(C)C=O.CN(C)c1ccncc1.[O:1]=[C:2]=[N:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[OH:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][OH:21])[cH:22][cH:23]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[O:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][OH:21])[cH:22][cH:23]1
| 0.94481 |
CN(C)C=O.CN(C)c1ccncc1.O=C=Nc1cccc2ccccc12.OCc1ccc(CO)cc1>>O=C(Nc1cccc2ccccc12)OCc1ccc(CO)cc1
|
CN(C)C=O.CN(C)c1ccncc1.O=C=Nc1cccc2ccccc12.OCc1ccc(CO)cc1>>O=C(Nc1cccc2ccccc12)OCc1ccc(CO)cc1
|
US08735622B2_0173grants
|
8b3ac48fe2862ac2a9a7cd4e8319b529962652e1b0a5a84d373673d6
|
CN(C)C=O.CN(C)c1ccncc1.[O:1]=[C:2]=[N:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12.[OH:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][OH:21])[cH:22][cH:23]1
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]12)[O:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][OH:21])[cH:22][cH:23]1
|
([C:1]-[O;H0;D2;+0:2]-[C;H0;D3;+0:4](=[O;D1;H0:3])-[NH;D2;+0:5]-[c:6])>>([C:1]-[OH;D1;+0:2]).([O;D1;H0:3]=[C;H0;D2;+0:4]=[N;H0;D2;+0:5]-[c:6])
|
484dbac5b256f2711be4a4f7fd15e723ddd55f8e94ec70a5476f4f12
| 1 | 1 |
CN(C)C=O.CN(C)c1ccncc1
| 34 |
310,649 | 1,010,168 | 1,709,548 |
Cl[C:2]1[C:3]2[C:8]([N:9]=[C:10]3[C:15]=1[CH:14]=[CH:13][CH:12]=[CH:11]3)=[CH:7][CH:6]=[CH:5][CH:4]=2.[CH2:16]([N:18]1[CH2:23][CH2:22][CH:21]([NH2:24])[CH2:20][CH2:19]1)[CH3:17]>>[CH2:16]([N:18]1[CH2:23][CH2:22][CH:21]([NH:24][C:2]2[C:3]3[C:8]([N:9]=[C:10]4[C:15]=2[CH:14]=[CH:13][CH:12]=[CH:11]4)=[CH:7][CH:6]=[CH:5][CH:4]=3)[CH2:20][CH2:19]1)[CH3:17]
| null |
US09221760B2_0325
| 2,015 |
Cl[c:8]1[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[n:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH:6]([NH2:7])[CH2:22][CH2:23]1>>[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH:6]([NH:7][c:8]2[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[n:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[CH2:22][CH2:23]1
| 0.811822 |
CCN1CCC(N)CC1.Clc1c2ccccc2nc2ccccc12>>CCN1CCC(Nc2c3ccccc3nc3ccccc23)CC1
|
CCN1CCC(N)CC1.Clc1c2ccccc2nc2ccccc12>>CCN1CCC(Nc2c3ccccc3nc3ccccc23)CC1
|
US09221760B2_0325grants
|
7ad2a1a7dee3c58ac4d92091951571847ead4888b39b405ccf7594ad
|
Cl[c:8]1[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[n:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12.[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH:6]([NH2:7])[CH2:22][CH2:23]1
|
[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH:6]([NH:7][c:8]2[c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[n:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[CH2:22][CH2:23]1
|
([C:7]-[NH;D2;+0:8]-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1)>>(Cl-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1).([C:7]-[NH2;D1;+0:8])
|
76481e0a90e2d8f28a32cbcabee865bd28d74b7aeba74f4a179b4375
| 1 | 1 | null | 78 |
217,524 | 731,777 | 1,205,576 |
[CH:1]1([C@H:5]([NH:13][C:14]([C:16]2[C:21]([CH3:22])=[CH:20][C:19](=[O:23])[N:18]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:17]=2[CH3:30])=[O:15])[C:6]2[CH:11]=[CH:10][CH:9]=[C:8]([F:12])[CH:7]=2)[CH2:4][CH2:3][CH2:2]1.[Br:31]N1C(=O)CCC1=O>CN(C)C=O>[CH:1]1([C@H:5]([NH:13][C:14]([C:16]2[C:21]([CH3:22])=[C:20]([Br:31])[C:19](=[O:23])[N:18]([C:24]3[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=3)[C:17]=2[CH3:30])=[O:15])[C:6]2[CH:11]=[CH:10][CH:9]=[C:8]([F:12])[CH:7]=2)[CH2:4][CH2:3][CH2:2]1
| null |
US08207347B2_0320
| 2,012 |
CN(C)C=O.O=C1CCC(=O)N1[Br:31].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][c:12]([F:13])[cH:14]2)[CH:15]2[CH2:16][CH2:17][CH2:18]2)[c:19]([CH3:20])[n:21](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28](=[O:29])[cH:30]1>>[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][c:12]([F:13])[cH:14]2)[CH:15]2[CH2:16][CH2:17][CH2:18]2)[c:19]([CH3:20])[n:21](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28](=[O:29])[c:30]1[Br:31]
| 0.911705 |
CN(C)C=O.Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N[C@H](c1cccc(F)c1)C1CCC1.O=C1CCC(=O)N1Br>>Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1Br
|
CN(C)C=O.Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N[C@H](c1cccc(F)c1)C1CCC1.O=C1CCC(=O)N1Br>>Cc1c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)n(-c2ccccc2)c(=O)c1Br
|
US08207347B2_0320grants
|
c1eea61c08e9e7cba7a5a788b2fccdb799b6cb613869ed98b2e7c08b
|
CN(C)C=O.O=C1CCC(=O)N1[Br:31].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][c:12]([F:13])[cH:14]2)[CH:15]2[CH2:16][CH2:17][CH2:18]2)[c:19]([CH3:20])[n:21](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28](=[O:29])[cH:30]1
|
[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][c:12]([F:13])[cH:14]2)[CH:15]2[CH2:16][CH2:17][CH2:18]2)[c:19]([CH3:20])[n:21](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:28](=[O:29])[c:30]1[Br:31]
|
([#7;a:2]:[c:3]:[c;H0;D3;+0:4](-[Br;H0;D1;+0:1]):[c:5])>>(O=C1-C-C-C(=O)-N-1-[Br;H0;D1;+0:1]).([#7;a:2]:[c:3]:[cH;D2;+0:4]:[c:5])
|
571615ea808e89a8f56883f704f80000c85502bd4345098a9fb594e9
| 1 | 1 |
CN(C)C=O
| 518 |
256,051 | 847,895 | 1,410,473 |
[CH:1]1([N:4]2[CH2:9][CH2:8][N:7]3[N:10]=[C:11]([N+:13]([O-])=O)[CH:12]=[C:6]3[CH2:5]2)[CH2:3][CH2:2]1.[NH4+].[Cl-]>C(O)C.O.[Fe]>[CH:1]1([N:4]2[CH2:9][CH2:8][N:7]3[N:10]=[C:11]([NH2:13])[CH:12]=[C:6]3[CH2:5]2)[CH2:3][CH2:2]1
|
|f:1.2|
|
US08618107B2_0451
| 2,013 |
CCO.O.O=[N+:1]([O-])[c:2]1[cH:3][c:4]2[n:5]([n:6]1)[CH2:7][CH2:8][N:9]([CH:10]1[CH2:11][CH2:12]1)[CH2:13]2.[Cl-].[Fe].[NH4+]>>[NH2:1][c:2]1[cH:3][c:4]2[n:5]([n:6]1)[CH2:7][CH2:8][N:9]([CH:10]1[CH2:11][CH2:12]1)[CH2:13]2
| 0.921499 |
CCO.O.O=[N+]([O-])c1cc2n(n1)CCN(C1CC1)C2.[Cl-]~[NH4+].[Fe]>>Nc1cc2n(n1)CCN(C1CC1)C2
|
CCO.O.O=[N+]([O-])c1cc2n(n1)CCN(C1CC1)C2.[Cl-].[Fe].[NH4+]>>Nc1cc2n(n1)CCN(C1CC1)C2
|
US08618107B2_0451grants
|
4f20ab5b6785fe6f7a016c1a4b3f608f1bf5e28dc0d58e64b1cb0058
|
CCO.O.O=[N+:1]([O-])[c:2]1[cH:3][c:4]2[n:5]([n:6]1)[CH2:7][CH2:8][N:9]([CH:10]1[CH2:11][CH2:12]1)[CH2:13]2.[Cl-].[Fe].[NH4+]
|
[NH2:1][c:2]1[cH:3][c:4]2[n:5]([n:6]1)[CH2:7][CH2:8][N:9]([CH:10]1[CH2:11][CH2:12]1)[CH2:13]2
|
([#7;a:4]:[#7;a:3]:[c:2]-[NH2;D1;+0:1])>>(O=[N+;H0;D3:1](-[O-])-[c:2]:[#7;a:3]:[#7;a:4])
|
8ae6f1db163bed4a2e8338565ec49cd85265823b170eebf4e75aa7be
| 1 | 1 |
CCO.O.[Cl-].[Fe].[NH4+]
| 684 |
181,317 | 629,485 | 1,041,623 |
C[O:2][C:3]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH2:21][C:22]4[C:23]([C:30]5[C:35]([Cl:36])=[CH:34][CH:33]=[CH:32][C:31]=5[Cl:37])=[N:24][O:25][C:26]=4[CH:27]([CH3:29])[CH3:28])=[CH:16][C:15]=3[CH3:38])=[CH:11][CH:12]=2)[N:7]([CH:39]([CH3:41])[CH3:40])[C:6]=1[CH3:42])=[O:4].[OH-].[Na+].Cl>CO>[Cl:36][C:35]1[CH:34]=[CH:33][CH:32]=[C:31]([Cl:37])[C:30]=1[C:23]1[C:22]([CH2:21][O:20][C:17]2[CH:18]=[CH:19][C:14]([C:10]3[CH:9]=[C:8]4[C:13]([C:5]([C:3]([OH:4])=[O:2])=[C:6]([CH3:42])[N:7]4[CH:39]([CH3:40])[CH3:41])=[CH:12][CH:11]=3)=[C:15]([CH3:38])[CH:16]=2)=[C:26]([CH:27]([CH3:29])[CH3:28])[O:25][N:24]=1
|
|f:1.2|
|
US07863302B2_0281
| 2,011 |
CO.C[O:33][C:31]([c:30]1[c:29]2[cH:28][cH:27][c:26](-[c:25]3[c:2]([CH3:1])[cH:3][c:4]([O:5][CH2:6][c:7]4[c:8](-[c:9]5[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]5[Cl:16])[n:17][o:18][c:19]4[CH:20]([CH3:21])[CH3:22])[cH:23][cH:24]3)[cH:41][c:40]2[n:36]([CH:37]([CH3:38])[CH3:39])[c:34]1[CH3:35])=[O:32].Cl.[Na+].[OH-]>>[CH3:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[c:8](-[c:9]3[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]3[Cl:16])[n:17][o:18][c:19]2[CH:20]([CH3:21])[CH3:22])[cH:23][cH:24][c:25]1-[c:26]1[cH:27][cH:28][c:29]2[c:30]([C:31](=[O:32])[OH:33])[c:34]([CH3:35])[n:36]([CH:37]([CH3:38])[CH3:39])[c:40]2[cH:41]1
| 0.44963 |
CO.COC(=O)c1c(C)n(C(C)C)c2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3C)ccc12.Cl.[Na+]~[OH-]>>Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)c(C)n(C(C)C)c2c1
|
CO.COC(=O)c1c(C)n(C(C)C)c2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3C)ccc12.Cl.[Na+].[OH-]>>Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2c(C(=O)O)c(C)n(C(C)C)c2c1
|
US07863302B2_0281grants
|
06e239b4dfea2082cf70ad26b8b3fc580628a5e121adafd63a1f565f
|
CO.C[O:33][C:31]([c:30]1[c:29]2[cH:28][cH:27][c:26](-[c:25]3[c:2]([CH3:1])[cH:3][c:4]([O:5][CH2:6][c:7]4[c:8](-[c:9]5[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]5[Cl:16])[n:17][o:18][c:19]4[CH:20]([CH3:21])[CH3:22])[cH:23][cH:24]3)[cH:41][c:40]2[n:36]([CH:37]([CH3:38])[CH3:39])[c:34]1[CH3:35])=[O:32].Cl.[Na+].[OH-]
|
[CH3:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[c:8](-[c:9]3[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]3[Cl:16])[n:17][o:18][c:19]2[CH:20]([CH3:21])[CH3:22])[cH:23][cH:24][c:25]1-[c:26]1[cH:27][cH:28][c:29]2[c:30]([C:31](=[O:32])[OH:33])[c:34]([CH3:35])[n:36]([CH:37]([CH3:38])[CH3:39])[c:40]2[cH:41]1
|
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4])>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4])
|
b499e0b68ab8cc89df665c73ba592c6e17427fbd5b75a0a04b8fb5db
| 1 | 1 |
CO.Cl.[Na+].[OH-]
| 152 |
18,167 | 88,448 | 144,128 |
[Cl:1][C:2]1[N:3]=[C:4]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[N:5]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([O:18]C)=[C:14]([CH3:20])[CH:13]=2)[C:6]=1[CH2:7][C:8]([OH:10])=[O:9].ClCCl.[Cl-].[Al+3].[Cl-].[Cl-]>C(O)C>[Cl:1][C:2]1[N:3]=[C:4]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[N:5]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([OH:18])=[C:14]([CH3:20])[CH:13]=2)[C:6]=1[CH2:7][C:8]([OH:10])=[O:9]
|
|f:2.3.4.5|
|
US04582847_
| 1,986 |
CCO.C[O:25][c:24]1[c:2]([CH3:1])[cH:3][c:4]([CH2:5][n:6]2[c:7](-[c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[n:14][c:15]([Cl:16])[c:17]2[CH2:18][C:19](=[O:20])[OH:21])[cH:22][cH:23]1.ClCCl.[Al+3].[Cl-].[Cl-].[Cl-]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](-[c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[n:14][c:15]([Cl:16])[c:17]2[CH2:18][C:19](=[O:20])[OH:21])[cH:22][cH:23][c:24]1[OH:25]
| 0.866885 |
CCO.COc1ccc(Cn2c(-c3ccccc3)nc(Cl)c2CC(=O)O)cc1C.ClCCl.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>Cc1cc(Cn2c(-c3ccccc3)nc(Cl)c2CC(=O)O)ccc1O
|
CCO.COc1ccc(Cn2c(-c3ccccc3)nc(Cl)c2CC(=O)O)cc1C.ClCCl.[Al+3].[Cl-].[Cl-].[Cl-]>>Cc1cc(Cn2c(-c3ccccc3)nc(Cl)c2CC(=O)O)ccc1O
|
US04582847_grants
|
ae181fda92a978f8d1a4925a9ff13365d2ee094bdeacf52aee22ccb4
|
CCO.C[O:25][c:24]1[c:2]([CH3:1])[cH:3][c:4]([CH2:5][n:6]2[c:7](-[c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[n:14][c:15]([Cl:16])[c:17]2[CH2:18][C:19](=[O:20])[OH:21])[cH:22][cH:23]1.ClCCl.[Al+3].[Cl-].[Cl-].[Cl-]
|
[CH3:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7](-[c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[n:14][c:15]([Cl:16])[c:17]2[CH2:18][C:19](=[O:20])[OH:21])[cH:22][cH:23][c:24]1[OH:25]
|
([#7;a:7]-[C:6]-[c:5]1:[c:4]:[c:3]:[c:2](-[OH;D1;+0:1]):[c:9]:[c:8]:1)>>(C-[O;H0;D2;+0:1]-[c:2]1:[c:3]:[c:4]:[c:5](-[C:6]-[#7;a:7]):[c:8]:[c:9]:1)
|
623e00b2e92a9a299bebd214a4f1af5eeba58d612bad67e79397c80b
| 1 | 1 |
CCO.ClCCl.[Al+3].[Cl-].[Cl-].[Cl-]
| 207 |
381,822 | 963,228 | null |
ClC(OCC)=O.[C:7]1([CH2:13][O:14][C:15]2[CH:16]=[C:17]([CH2:21][CH2:22][C:23]([OH:25])=O)[CH:18]=[CH:19][CH:20]=2)[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.C([N:28](CC)CC)C.N>C1COCC1>[C:7]1([CH2:13][O:14][C:15]2[CH:16]=[C:17]([CH2:21][CH2:22][C:23]([NH2:28])=[O:25])[CH:18]=[CH:19][CH:20]=2)[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1
| null |
US20100273770A1_0147
| 2,010 |
C1CCOC1.CCN(CC)CC.CCOC(=O)Cl.O[C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19]1.[NH3:1]>>[NH2:1][C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19]1
| 0.76315 |
C1CCOC1.CCN(CC)CC.CCOC(=O)Cl.N.O=C(O)CCc1cccc(OCc2ccccc2)c1>>NC(=O)CCc1cccc(OCc2ccccc2)c1
|
C1CCOC1.CCN(CC)CC.CCOC(=O)Cl.N.O=C(O)CCc1cccc(OCc2ccccc2)c1>>NC(=O)CCc1cccc(OCc2ccccc2)c1
|
US20100273770A1_0147apps
|
f4a4a5f5b048c0f67849caaa823222caac66ef340131dd975de94ae9
|
C1CCOC1.CCN(CC)CC.CCOC(=O)Cl.O[C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19]1.[NH3:1]
|
[NH2:1][C:2](=[O:3])[CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19]1
|
([C:2]-[C;H0;D3;+0:1](-[NH2;D1;+0:4])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH3;D0;+0:4])
|
cde300289d1caf5bcfdecbb51b23bf034a2afb0ba0fd01708cbdafa5
| 1 | 1 |
C1CCOC1.CCN(CC)CC.CCOC(=O)Cl
| 313 |
382,978 | 979,345 | null |
[CH3:1][O:2][C:3]1[CH:4]=[N:5][C:6]([N:11]2[C:20](=[O:21])[C:19]3[C:14](=[CH:15][C:16]([C:22](O)=[O:23])=[CH:17][CH:18]=3)[NH:13][C:12]2=[S:25])=[N:7][C:8]=1[O:9][CH3:10].[NH2:26][CH2:27][C:28]1[CH:29]=[C:30]([CH:39]=[CH:40][CH:41]=1)[C:31]([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:32].CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C.C(OCC)(=O)C>[C:31]([C:30]1[CH:29]=[C:28]([CH:41]=[CH:40][CH:39]=1)[CH2:27][NH:26][C:22]([C:16]1[CH:15]=[C:14]2[C:19]([C:20](=[O:21])[N:11]([C:6]3[N:7]=[C:8]([O:9][CH3:10])[C:3]([O:2][CH3:1])=[CH:4][N:5]=3)[C:12](=[S:25])[NH:13]2)=[CH:18][CH:17]=1)=[O:23])(=[O:32])[C:33]1[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=1
|
|f:3.4|
|
US20100298324A1_0199
| 2,010 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O[C:14]([c:13]1[cH:12][c:11]2[nH:10][c:8](=[S:9])[n:7](-[c:6]3[n:5][cH:4][c:3]([O:2][CH3:1])[c:38]([O:39][CH3:40])[n:37]3)[c:35](=[O:36])[c:34]2[cH:33][cH:32]1)=[O:15].[NH2:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][c:22]([C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31]1>>[CH3:1][O:2][c:3]1[cH:4][n:5][c:6](-[n:7]2[c:8](=[S:9])[nH:10][c:11]3[cH:12][c:13]([C:14](=[O:15])[NH:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][c:22]([C:23](=[O:24])[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[cH:31]4)[cH:32][cH:33][c:34]3[c:35]2=[O:36])[n:37][c:38]1[O:39][CH3:40]
| 0.901685 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.COc1cnc(-n2c(=S)[nH]c3cc(C(=O)O)ccc3c2=O)nc1OC.NCc1cccc(C(=O)c2ccccc2)c1>>COc1cnc(-n2c(=S)[nH]c3cc(C(=O)NCc4cccc(C(=O)c5ccccc5)c4)ccc3c2=O)nc1OC
|
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.COc1cnc(-n2c(=S)[nH]c3cc(C(=O)O)ccc3c2=O)nc1OC.F[P-](F)(F)(F)(F)F.NCc1cccc(C(=O)c2ccccc2)c1>>COc1cnc(-n2c(=S)[nH]c3cc(C(=O)NCc4cccc(C(=O)c5ccccc5)c4)ccc3c2=O)nc1OC
|
US20100298324A1_0199apps
|
361e7c58a2757aca738516dfa617885cdcdfc5fc64446384fc0a3862
|
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O[C:14]([c:13]1[cH:12][c:11]2[nH:10][c:8](=[S:9])[n:7](-[c:6]3[n:5][cH:4][c:3]([O:2][CH3:1])[c:38]([O:39][CH3:40])[n:37]3)[c:35](=[O:36])[c:34]2[cH:33][cH:32]1)=[O:15].[NH2:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][c:22]([C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31]1
|
[CH3:1][O:2][c:3]1[cH:4][n:5][c:6](-[n:7]2[c:8](=[S:9])[nH:10][c:11]3[cH:12][c:13]([C:14](=[O:15])[NH:16][CH2:17][c:18]4[cH:19][cH:20][cH:21][c:22]([C:23](=[O:24])[c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)[cH:31]4)[cH:32][cH:33][c:34]3[c:35]2=[O:36])[n:37][c:38]1[O:39][CH3:40]
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)
|
1e906db6a77b0514fde5b7203388f1047e0cbf77350c2b0657491a6b
| 1 | 1 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F
| 753 |
64,684 | 271,363 | 460,436 |
[Cl:1][C:2]1[C:7]([OH:8])=[CH:6][C:5]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:22][CH2:23][CH2:24]Cl)=[C:17]([O:20][CH3:21])[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:26]#[N:27])=[C:4]([F:28])[CH:3]=1.[I-].[Na+].[CH3:31][NH:32][CH3:33]>O1CCCC1>[Cl:1][C:2]1[C:7]([OH:8])=[CH:6][C:5]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:22][CH2:23][CH2:24][N:32]([CH3:33])[CH3:31])=[C:17]([O:20][CH3:21])[CH:18]=3)[N:13]=[CH:12][C:11]=2[C:26]#[N:27])=[C:4]([F:28])[CH:3]=1
|
|f:1.2|
|
US06002008_
| 1,999 |
C1CCOC1.Cl[CH2:27][CH2:26][O:25][c:24]1[c:3]([O:2][CH3:1])[cH:4][c:5]2[c:6]([NH:7][c:8]3[cH:9][c:10]([OH:11])[c:12]([Cl:13])[cH:14][c:15]3[F:16])[c:17]([C:18]#[N:19])[cH:20][n:21][c:22]2[cH:23]1.[I-].[NH:28]([CH3:29])[CH3:30].[Na+]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([NH:7][c:8]3[cH:9][c:10]([OH:11])[c:12]([Cl:13])[cH:14][c:15]3[F:16])[c:17]([C:18]#[N:19])[cH:20][n:21][c:22]2[cH:23][c:24]1[O:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30]
| 0.749777 |
C1CCOC1.CNC.COc1cc2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc2cc1OCCCl.[I-]~[Na+]>>COc1cc2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc2cc1OCCN(C)C
|
C1CCOC1.CNC.COc1cc2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc2cc1OCCCl.[I-].[Na+]>>COc1cc2c(Nc3cc(O)c(Cl)cc3F)c(C#N)cnc2cc1OCCN(C)C
|
US06002008_grants
|
f95d47cfbb0f952243aa023d57a12aba6c22fc379c5f6e3b0f48a261
|
C1CCOC1.Cl[CH2:27][CH2:26][O:25][c:24]1[c:3]([O:2][CH3:1])[cH:4][c:5]2[c:6]([NH:7][c:8]3[cH:9][c:10]([OH:11])[c:12]([Cl:13])[cH:14][c:15]3[F:16])[c:17]([C:18]#[N:19])[cH:20][n:21][c:22]2[cH:23]1.[I-].[NH:28]([CH3:29])[CH3:30].[Na+]
|
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([NH:7][c:8]3[cH:9][c:10]([OH:11])[c:12]([Cl:13])[cH:14][c:15]3[F:16])[c:17]([C:18]#[N:19])[cH:20][n:21][c:22]2[cH:23][c:24]1[O:25][CH2:26][CH2:27][N:28]([CH3:29])[CH3:30]
|
([C:2]-[CH2;D2;+0:1]-[N;H0;D3;+0:4](-[C;D1;H3:3])-[C;D1;H3:5])>>(Cl-[CH2;D2;+0:1]-[C:2]).([C;D1;H3:3]-[NH;D2;+0:4]-[C;D1;H3:5])
|
c38df6bb72f417e54d2346e687e032ed86554f208af48effa9422912
| 1 | 1 |
C1CCOC1.[I-].[Na+]
| 138 |
386,895 | 1,054,876 | null |
[CH3:1][N:2]1[CH2:8][CH2:7][CH2:6][NH:5][CH2:4][CH2:3]1.[CH2:9]([O:11][C:12]1[CH:17]=[C:16](F)[CH:15]=[CH:14][C:13]=1[N+:19]([O-:21])=[O:20])[CH3:10].CCN(C(C)C)C(C)C>CC(N(C)C)=O.O>[CH2:9]([O:11][C:12]1[CH:17]=[C:16]([N:5]2[CH2:6][CH2:7][CH2:8][N:2]([CH3:1])[CH2:3][CH2:4]2)[CH:15]=[CH:14][C:13]=1[N+:19]([O-:21])=[O:20])[CH3:10]
| null |
US20110118238A1_0651
| 2,011 |
CC(=O)N(C)C.CCN(C(C)C)C(C)C.F[c:6]1[cH:5][c:4]([O:3][CH2:2][CH3:1])[c:17]([N+:18](=[O:19])[O-:20])[cH:16][cH:15]1.O.[NH:7]1[CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH2:14]1>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]([N:7]2[CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH2:14]2)[cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20]
| 0.933932 |
CC(=O)N(C)C.CCN(C(C)C)C(C)C.CCOc1cc(F)ccc1[N+](=O)[O-].CN1CCCNCC1.O>>CCOc1cc(N2CCCN(C)CC2)ccc1[N+](=O)[O-]
|
CC(=O)N(C)C.CCN(C(C)C)C(C)C.CCOc1cc(F)ccc1[N+](=O)[O-].CN1CCCNCC1.O>>CCOc1cc(N2CCCN(C)CC2)ccc1[N+](=O)[O-]
|
US20110118238A1_0651apps
|
06604e37a68f8c79a450baca5be0ee681c3164d3078ff4ddf0dfa745
|
CC(=O)N(C)C.CCN(C(C)C)C(C)C.F[c:6]1[cH:5][c:4]([O:3][CH2:2][CH3:1])[c:17]([N+:18](=[O:19])[O-:20])[cH:16][cH:15]1.O.[NH:7]1[CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH2:14]1
|
[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]([N:7]2[CH2:8][CH2:9][CH2:10][N:11]([CH3:12])[CH2:13][CH2:14]2)[cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20]
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(F-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
d6ea9b633b6bf4e6067258d496eb35f7d14e90bca4edf5fe58c28c1b
| 1 | 1 |
CC(=O)N(C)C.CCN(C(C)C)C(C)C.O
| 26 |
272,912 | 894,923 | 1,492,308 |
[CH3:1][O:2][C:3](=[O:22])[CH2:4][C:5]1[C:6]([CH3:21])=[N:7][N:8]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([N+:18]([O-])=O)=[CH:14][CH:13]=2)[C:9]=1[CH3:10]>CO.[Pd]>[CH3:1][O:2][C:3](=[O:22])[CH2:4][C:5]1[C:6]([CH3:21])=[N:7][N:8]([CH2:11][C:12]2[CH:13]=[CH:14][C:15]([NH2:18])=[CH:16][CH:17]=2)[C:9]=1[CH3:10]
| null |
US08791272B2_0221
| 2,014 |
CO.O=[N+:16]([O-])[c:15]1[cH:14][cH:13][c:12]([CH2:11][n:10]2[n:9][c:7]([CH3:8])[c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[c:19]2[CH3:20])[cH:18][cH:17]1.[Pd]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[c:7]([CH3:8])[n:9][n:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([NH2:16])[cH:17][cH:18]2)[c:19]1[CH3:20]
| 0.965866 |
CO.COC(=O)Cc1c(C)nn(Cc2ccc([N+](=O)[O-])cc2)c1C.[Pd]>>COC(=O)Cc1c(C)nn(Cc2ccc(N)cc2)c1C
|
CO.COC(=O)Cc1c(C)nn(Cc2ccc([N+](=O)[O-])cc2)c1C.[Pd]>>COC(=O)Cc1c(C)nn(Cc2ccc(N)cc2)c1C
|
US08791272B2_0221grants
|
3a649506579a4d7e541bad85393746ddd56b754fac2cf3c1f5500472
|
CO.O=[N+:16]([O-])[c:15]1[cH:14][cH:13][c:12]([CH2:11][n:10]2[n:9][c:7]([CH3:8])[c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[c:19]2[CH3:20])[cH:18][cH:17]1.[Pd]
|
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[c:7]([CH3:8])[n:9][n:10]([CH2:11][c:12]2[cH:13][cH:14][c:15]([NH2:16])[cH:17][cH:18]2)[c:19]1[CH3:20]
|
([#7;a:7]-[C:6]-[c:5]1:[c:4]:[c:3]:[c:2](-[NH2;D1;+0:1]):[c:9]:[c:8]:1)>>(O=[N+;H0;D3:1](-[O-])-[c:2]1:[c:3]:[c:4]:[c:5](-[C:6]-[#7;a:7]):[c:8]:[c:9]:1)
|
1f4f714adbc46026d5b9c848042e5692d311e31d91ae5762beebfd72
| 1 | 1 |
CO.[Pd]
| 507 |
55,509 | 238,317 | 400,348 |
[NH:1]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[C:5](=[O:12])[CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.[N+:20]([C:23]1[CH:31]=[CH:30][C:26]([C:27](Cl)=[O:28])=[CH:25][CH:24]=1)([O-:22])=[O:21].C(=O)(O)[O-].[Na+]>ClCCl>[N+:20]([C:23]1[CH:24]=[CH:25][C:26]([C:27]([N:1]2[C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=3[C:5](=[O:12])[CH2:4][CH2:3][CH2:2]2)=[O:28])=[CH:30][CH:31]=1)([O-:22])=[O:21]
|
|f:3.4|
|
US05723606_
| 1,998 |
CCN(CC)CC.ClCCl.Cl[C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]1.O=C([O-])O.[Na+].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][NH:6][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21>>[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][N:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21
| 0.89522 |
CCN(CC)CC.ClCCl.O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C([O-])O~[Na+].O=C1CCCNc2ccccc21>>O=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21
|
CCN(CC)CC.ClCCl.O=C(Cl)c1ccc([N+](=O)[O-])cc1.O=C([O-])O.O=C1CCCNc2ccccc21.[Na+]>>O=C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21
|
US05723606_grants
|
5fe5738d29c3bcf3406dcc813aea1dbaf11011bc38d2c6c69790fbb1
|
CCN(CC)CC.ClCCl.Cl[C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]1.O=C([O-])O.[Na+].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][NH:6][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21
|
[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][N:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21
|
([C:4]-[N;H0;D3;+0:5](-[c:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH;D2;+0:5]-[c:6])
|
3a1fd98266c56170b70ca1ddbad79f42c7bbe8f5d5f0da8c7b389a8b
| 1 | 1 |
CCN(CC)CC.ClCCl.O=C([O-])O.[Na+]
| 614 |
342,181 | 344,376 | null |
[C:1]([C:4]1[CH:9]=[CH:8][C:7]([B:10]([OH:12])[OH:11])=[CH:6][CH:5]=1)([OH:3])=O.[NH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.C(N(CC)CC)C>ClCCl.O>[NH:13]([C:1]([C:4]1[CH:9]=[CH:8][C:7]([B:10]([OH:12])[OH:11])=[CH:6][CH:5]=1)=[O:3])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1
| null |
US20060089371A1_0424
| 2,006 |
CCN(CC)CC.ClCCl.O.O[C:2](=[O:1])[c:10]1[cH:11][cH:12][c:13]([B:14]([OH:15])[OH:16])[cH:17][cH:18]1.[NH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][cH:12][c:13]([B:14]([OH:15])[OH:16])[cH:17][cH:18]1
| 0.72912 |
CCN(CC)CC.ClCCl.Nc1ccccc1.O.O=C(O)c1ccc(B(O)O)cc1>>O=C(Nc1ccccc1)c1ccc(B(O)O)cc1
|
CCN(CC)CC.ClCCl.Nc1ccccc1.O.O=C(O)c1ccc(B(O)O)cc1>>O=C(Nc1ccccc1)c1ccc(B(O)O)cc1
|
US20060089371A1_0424apps
|
cfa9ce995d239d871ae9b8ae1b18392172dc838ffacf4e868a64ada2
|
CCN(CC)CC.ClCCl.O.O[C:2](=[O:1])[c:10]1[cH:11][cH:12][c:13]([B:14]([OH:15])[OH:16])[cH:17][cH:18]1.[NH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][cH:12][c:13]([B:14]([OH:15])[OH:16])[cH:17][cH:18]1
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[c:5])
|
35b8cb0d38b7801143c15d7c216f0b66c154f00ac243d1252d6d0e55
| 1 | 1 |
CCN(CC)CC.ClCCl.O
| 50 |
254,528 | 843,327 | 1,403,156 |
[F:1][C:2]([F:35])([F:34])[C:3]1[CH:4]=[C:5]([CH:27]=[C:28]([C:30]([F:33])([F:32])[F:31])[CH:29]=1)[CH2:6][N:7]([CH2:14][C:15]1[CH:16]=[C:17]2[C:24]([CH3:25])=[N:23][N:22]([CH3:26])[C:18]2=[N:19][C:20]=1Cl)[C:8]1[N:9]=[N:10][N:11]([CH3:13])[N:12]=1.[O-]CCCC.CC(C)([O-])C.[K+].[CH:47]1([CH2:50][NH2:51])[CH2:49][CH2:48]1>CC([O-])=O.CC([O-])=O.[Pd+2].C1C=CC(P(C2C(C3C(P(C4C=CC=CC=4)C4C=CC=CC=4)=CC=C4C=3C=CC=C4)=C3C(C=CC=C3)=CC=2)C2C=CC=CC=2)=CC=1.C(OCC)(=O)C>[F:1][C:2]([F:35])([F:34])[C:3]1[CH:4]=[C:5]([CH:27]=[C:28]([C:30]([F:33])([F:32])[F:31])[CH:29]=1)[CH2:6][N:7]([CH2:14][C:15]1[CH:16]=[C:17]2[C:24]([CH3:25])=[N:23][N:22]([CH3:26])[C:18]2=[N:19][C:20]=1[NH:51][CH2:50][CH:47]1[CH2:49][CH2:48]1)[C:8]1[N:9]=[N:10][N:11]([CH3:13])[N:12]=1
|
|f:1.2.3,5.6.7|
|
US08604055B2_1379
| 2,013 |
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].CCCC[O-].CCOC(C)=O.Cl[c:8]1[n:7][c:6]2[n:4]([CH3:5])[n:3][c:2]([CH3:1])[c:39]2[cH:38][c:14]1[CH2:15][N:16]([CH2:17][c:18]1[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]1)[c:32]1[n:33][n:34][n:35]([CH3:36])[n:37]1.[K+].[NH2:9][CH2:10][CH:11]1[CH2:12][CH2:13]1.[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>[CH3:1][c:2]1[n:3][n:4]([CH3:5])[c:6]2[n:7][c:8]([NH:9][CH2:10][CH:11]3[CH2:12][CH2:13]3)[c:14]([CH2:15][N:16]([CH2:17][c:18]3[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]3)[c:32]3[n:33][n:34][n:35]([CH3:36])[n:37]3)[cH:38][c:39]12
| 0.092276 |
CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CC(C)(C)[O-]~CCCC[O-]~[K+].CCOC(C)=O.Cc1nn(C)c2nc(Cl)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12.NCC1CC1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>Cc1nn(C)c2nc(NCC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12
|
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].CCCC[O-].CCOC(C)=O.Cc1nn(C)c2nc(Cl)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12.NCC1CC1.[K+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>Cc1nn(C)c2nc(NCC3CC3)c(CN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnn(C)n3)cc12
|
US08604055B2_1379grants
|
737ff2fdee5f9e75aa6c2fe377ffc99e39b3f5234b5363e14ba26464
|
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].CCCC[O-].CCOC(C)=O.Cl[c:8]1[n:7][c:6]2[n:4]([CH3:5])[n:3][c:2]([CH3:1])[c:39]2[cH:38][c:14]1[CH2:15][N:16]([CH2:17][c:18]1[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]1)[c:32]1[n:33][n:34][n:35]([CH3:36])[n:37]1.[K+].[NH2:9][CH2:10][CH:11]1[CH2:12][CH2:13]1.[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
|
[CH3:1][c:2]1[n:3][n:4]([CH3:5])[c:6]2[n:7][c:8]([NH:9][CH2:10][CH:11]3[CH2:12][CH2:13]3)[c:14]([CH2:15][N:16]([CH2:17][c:18]3[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]3)[c:32]3[n:33][n:34][n:35]([CH3:36])[n:37]3)[cH:38][c:39]12
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[NH;D2;+0:5]-[C:4])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[NH2;D1;+0:5])
|
b7dcca1715ae4f4860ce60c58aa7a841fe17b3f404fb48a132c70869
| 1 | 1 |
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].CCCC[O-].CCOC(C)=O.[K+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
| 70 |
347,502 | 431,668 | null |
[C:1]([C:3]1[C:4]([CH2:20][CH:21]([CH3:23])[CH3:22])=[N:5][C:6]([CH3:19])=[C:7]([C:11]=1[C:12]1[CH:17]=[CH:16][C:15]([CH3:18])=[CH:14][CH:13]=1)[C:8]([OH:10])=O)#[N:2].C(Cl)(=O)C(Cl)=O.C(N(CC)CC)C.[CH:37]1([NH:43][CH:44]2[CH2:49][CH2:48][CH2:47][CH2:46][CH2:45]2)[CH2:42][CH2:41][CH2:40][CH2:39][CH2:38]1>ClCCl.C(OCC)(=O)C.CN(C)C=O>[C:1]([C:3]1[C:4]([CH2:20][CH:21]([CH3:22])[CH3:23])=[N:5][C:6]([CH3:19])=[C:7]([C:11]=1[C:12]1[CH:13]=[CH:14][C:15]([CH3:18])=[CH:16][CH:17]=1)[C:8]([N:43]([CH:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1)[CH:37]1[CH2:42][CH2:41][CH2:40][CH2:39][CH2:38]1)=[O:10])#[N:2]
| null |
US20070037807A1_1330
| 2,007 |
CCN(CC)CC.CCOC(C)=O.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl.O[C:19]([c:18]1[c:6](-[c:5]2[cH:4][cH:3][c:2]([CH3:1])[cH:35][cH:34]2)[c:7]([C:8]#[N:9])[c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[n:15][c:16]1[CH3:17])=[O:20].[NH:21]([CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1)[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[c:7]([C:8]#[N:9])[c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[n:15][c:16]([CH3:17])[c:18]2[C:19](=[O:20])[N:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:34][cH:35]1
| 0.225553 |
C1CCC(NC2CCCCC2)CC1.CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Cc1ccc(-c2c(C#N)c(CC(C)C)nc(C)c2C(=O)O)cc1.ClCCl.O=C(Cl)C(=O)Cl>>Cc1ccc(-c2c(C#N)c(CC(C)C)nc(C)c2C(=O)N(C2CCCCC2)C2CCCCC2)cc1
|
C1CCC(NC2CCCCC2)CC1.CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Cc1ccc(-c2c(C#N)c(CC(C)C)nc(C)c2C(=O)O)cc1.ClCCl.O=C(Cl)C(=O)Cl>>Cc1ccc(-c2c(C#N)c(CC(C)C)nc(C)c2C(=O)N(C2CCCCC2)C2CCCCC2)cc1
|
US20070037807A1_1330apps
|
c46518ba9c93917518af23bb3021f4627739907d7e60c597636e6b22
|
CCN(CC)CC.CCOC(C)=O.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl.O[C:19]([c:18]1[c:6](-[c:5]2[cH:4][cH:3][c:2]([CH3:1])[cH:35][cH:34]2)[c:7]([C:8]#[N:9])[c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[n:15][c:16]1[CH3:17])=[O:20].[NH:21]([CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]1)[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[c:7]([C:8]#[N:9])[c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[n:15][c:16]([CH3:17])[c:18]2[C:19](=[O:20])[N:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[cH:34][cH:35]1
|
([#7;a:5]:[c:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[N;H0;D3;+0:7](-[C:6])-[C:8])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[c:4]:[#7;a:5]).([C:6]-[NH;D2;+0:7]-[C:8])
|
1e357d8404a4da0d67c15eca3759c342ff8139c4a803975907225df6
| 1 | 1 |
CCN(CC)CC.CCOC(C)=O.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl
| 256 |
249,570 | 828,255 | 1,373,174 |
[F:1][C:2]1[CH:3]=[C:4]([CH:9]([OH:14])[C:10](OC)=[O:11])[CH:5]=[C:6]([F:8])[CH:7]=1.O.[NH2:16][NH2:17]>CC(O)C>[F:1][C:2]1[CH:3]=[C:4]([CH:9]([OH:14])[C:10]([NH:16][NH2:17])=[O:11])[CH:5]=[C:6]([F:8])[CH:7]=1
|
|f:1.2|
|
US08546613B2_0068
| 2,013 |
CC(C)O.CO[C:3](=[O:4])[CH:5]([OH:6])[c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1.O.[NH2:1][NH2:2]>>[NH2:1][NH:2][C:3](=[O:4])[CH:5]([OH:6])[c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1
| 0.570296 |
CC(C)O.COC(=O)C(O)c1cc(F)cc(F)c1.NN~O>>NNC(=O)C(O)c1cc(F)cc(F)c1
|
CC(C)O.COC(=O)C(O)c1cc(F)cc(F)c1.NN.O>>NNC(=O)C(O)c1cc(F)cc(F)c1
|
US08546613B2_0068grants
|
26622845b8570e163a2682d6e50c4279e34df8da1f6b86590fc4b87d
|
CC(C)O.CO[C:3](=[O:4])[CH:5]([OH:6])[c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1.O.[NH2:1][NH2:2]
|
[NH2:1][NH:2][C:3](=[O:4])[CH:5]([OH:6])[c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:5]-[N;D1;H2:4])>>(C-O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([N;D1;H2:4]-[NH2;D1;+0:5])
|
4a4cc8c8415e11cba150e15e821b1c18f8effbaac08580c6d66871d8
| 1 | 1 |
CC(C)O.O
| 130 |
238,478 | 795,817 | 1,317,108 |
C(O)(=O)CCC(O)=O.[F:9][C:10]([F:37])([F:36])[C:11]1[N:12]=[C:13]([CH:23]2[CH2:28][CH2:27][N:26](C(OC(C)(C)C)=O)[CH2:25][CH2:24]2)[N:14]([CH2:16][CH2:17][N:18]2[CH2:22][CH2:21][CH2:20][CH2:19]2)[CH:15]=1.Cl>CO>[F:37][C:10]([F:9])([F:36])[C:11]1[N:12]=[C:13]([CH:23]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]2)[N:14]([CH2:16][CH2:17][N:18]2[CH2:22][CH2:21][CH2:20][CH2:19]2)[CH:15]=1
|
|f:0.1|
|
US08436002B2_0240
| 2,013 |
CC(C)(C)OC(=O)[N:19]1[CH2:18][CH2:17][CH:16]([c:15]2[n:7]([CH2:8][CH2:9][N:10]3[CH2:11][CH2:12][CH2:13][CH2:14]3)[cH:6][c:5]([C:2]([F:1])([F:3])[F:4])[n:22]2)[CH2:21][CH2:20]1.CO.Cl.O=C(O)CCC(=O)O>>[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][n:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[c:15]([CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[n:22]1
| 0.204263 |
CC(C)(C)OC(=O)N1CCC(c2nc(C(F)(F)F)cn2CCN2CCCC2)CC1~O=C(O)CCC(=O)O.CO.Cl>>FC(F)(F)c1cn(CCN2CCCC2)c(C2CCNCC2)n1
|
CC(C)(C)OC(=O)N1CCC(c2nc(C(F)(F)F)cn2CCN2CCCC2)CC1.CO.Cl.O=C(O)CCC(=O)O>>FC(F)(F)c1cn(CCN2CCCC2)c(C2CCNCC2)n1
|
US08436002B2_0240grants
|
ba4cb961e281ff3bf493b1dd7b2c155c9dc2b09caabc586587e3a9fe
|
CC(C)(C)OC(=O)[N:19]1[CH2:18][CH2:17][CH:16]([c:15]2[n:7]([CH2:8][CH2:9][N:10]3[CH2:11][CH2:12][CH2:13][CH2:14]3)[cH:6][c:5]([C:2]([F:1])([F:3])[F:4])[n:22]2)[CH2:21][CH2:20]1.CO.Cl.O=C(O)CCC(=O)O
|
[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][n:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[c:15]([CH:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[n:22]1
|
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
|
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
| 1 | 1 |
CO.Cl.O=C(O)CCC(=O)O
| 575 |
198,866 | 679,898 | 1,121,871 |
C([O:5][C:6](=[O:25])[CH2:7][C:8]([N:10]1[CH2:15][CH2:14][N:13]([C:16](=[O:24])[C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[Br:23])[CH2:12][CH2:11]1)=[O:9])(C)(C)C.Cl>O1CCOCC1>[Br:23][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=1[C:16]([N:13]1[CH2:14][CH2:15][N:10]([C:8](=[O:9])[CH2:7][C:6]([OH:25])=[O:5])[CH2:11][CH2:12]1)=[O:24]
| null |
US08039463B2_0394
| 2,011 |
C1COCCO1.CC(C)(C)[O:3][C:2](=[O:1])[CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[Br:19])[CH2:20][CH2:21]1.Cl>>[O:1]=[C:2]([OH:3])[CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[Br:19])[CH2:20][CH2:21]1
| 0.933693 |
C1COCCO1.CC(C)(C)OC(=O)CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1.Cl>>O=C(O)CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1
|
C1COCCO1.CC(C)(C)OC(=O)CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1.Cl>>O=C(O)CC(=O)N1CCN(C(=O)c2ccccc2Br)CC1
|
US08039463B2_0394grants
|
3545478f2583d5a9bdf3f2cc738bb702ef010859c81edf89901e1e88
|
C1COCCO1.CC(C)(C)[O:3][C:2](=[O:1])[CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[Br:19])[CH2:20][CH2:21]1.Cl
|
[O:1]=[C:2]([OH:3])[CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[Br:19])[CH2:20][CH2:21]1
|
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-C(-C)(-C)-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
|
cd4c8dfb74ae00d4ec8387e8837370d2f9fd4ad5e54ff56c9878f839
| 1 | 1 |
C1COCCO1.Cl
| 278 |
55,714 | 238,953 | 401,480 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[C:4]([CH3:9])[CH:3]=1.[N+:10]([C:13]1[CH:21]=[CH:20][C:16]([C:17](O)=[O:18])=[CH:15][CH:14]=1)([O-:12])=[O:11]>>[N+:10]([C:13]1[CH:14]=[CH:15][C:16]([C:17]([NH:1][C:2]2[CH:7]=[CH:6][C:5]([CH3:8])=[C:4]([CH3:9])[CH:3]=2)=[O:18])=[CH:20][CH:21]=1)([O-:12])=[O:11]
| null |
US05728835_
| 1,998 |
O[C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:18][c:19]1[CH3:20]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[cH:18][c:19]1[CH3:20]
| 0.77675 |
Cc1ccc(N)cc1C.O=C(O)c1ccc([N+](=O)[O-])cc1>>Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C
|
Cc1ccc(N)cc1C.O=C(O)c1ccc([N+](=O)[O-])cc1>>Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C
|
US05728835_grants
|
9ee5656dd9c2efc94a48dd8e5cfea70259ebc3fe51ce3fcc0f5ff841
|
O[C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:18][c:19]1[CH3:20]
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[cH:18][c:19]1[CH3:20]
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[c:5])
|
35b8cb0d38b7801143c15d7c216f0b66c154f00ac243d1252d6d0e55
| 1 | 1 | null | 50 |
258,303 | 854,393 | 1,421,508 |
[CH3:1][O:2][C:3](=[O:25])[CH2:4][C:5]1[CH:14]=[C:13]([O:15]CC2C=CC=CC=2)[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([F:23])[CH:11]=2)[C:6]=1[Br:24]>C(OCC)(=O)C.[Pd].[Br-].[Zn+2].[Br-]>[CH3:1][O:2][C:3](=[O:25])[CH2:4][C:5]1[CH:14]=[C:13]([OH:15])[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([F:23])[CH:11]=2)[C:6]=1[Br:24]
|
|f:3.4.5|
|
US08642629B2_0514
| 2,014 |
CCOC(C)=O.[Br-].[Br-].[Pd].[Zn+2].c1ccc(C[O:9][c:8]2[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[c:17]([Br:18])[c:16]3[c:10]2[cH:11][c:12]([F:13])[cH:14][cH:15]3)cc1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([OH:9])[c:10]2[cH:11][c:12]([F:13])[cH:14][cH:15][c:16]2[c:17]1[Br:18]
| 0.986151 |
CCOC(C)=O.COC(=O)Cc1cc(OCc2ccccc2)c2cc(F)ccc2c1Br.[Br-]~[Br-]~[Zn+2].[Pd]>>COC(=O)Cc1cc(O)c2cc(F)ccc2c1Br
|
CCOC(C)=O.COC(=O)Cc1cc(OCc2ccccc2)c2cc(F)ccc2c1Br.[Br-].[Br-].[Pd].[Zn+2]>>COC(=O)Cc1cc(O)c2cc(F)ccc2c1Br
|
US08642629B2_0514grants
|
f9a5ac2efe46b8d6e32c69823c8c7224864b53c0db182456868a1d04
|
CCOC(C)=O.[Br-].[Br-].[Pd].[Zn+2].c1ccc(C[O:9][c:8]2[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[c:17]([Br:18])[c:16]3[c:10]2[cH:11][c:12]([F:13])[cH:14][cH:15]3)cc1
|
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([OH:9])[c:10]2[cH:11][c:12]([F:13])[cH:14][cH:15][c:16]2[c:17]1[Br:18]
|
([OH;D1;+0:2]-[c:1])>>([c:1]-[O;H0;D2;+0:2]-C-c1:c:c:c:c:c:1)
|
5aae93a61569145ed18632d801932cdc99b7a496825e1c5156904263
| 1 | 1 |
CCOC(C)=O.[Br-].[Br-].[Pd].[Zn+2]
| 23 |
134,322 | 488,104 | 822,212 |
[NH2:1][CH2:2][C@@H:3]1[CH2:6][C@H:5]([N:7]2[C:11]3[N:12]=[CH:13][N:14]=[C:15]([NH2:16])[C:10]=3[C:9]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([O:23][CH2:24][C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)[CH:18]=3)=[CH:8]2)[CH2:4]1.Cl[C:32]([O:34][CH2:35][CH2:36][O:37][CH3:38])=[O:33]>>[CH3:38][O:37][CH2:36][CH2:35][O:34][C:32](=[O:33])[NH:1][CH2:2][C@H:3]1[CH2:4][C@@H:5]([N:7]2[C:11]3[N:12]=[CH:13][N:14]=[C:15]([NH2:16])[C:10]=3[C:9]([C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([O:23][CH2:24][C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)[CH:18]=3)=[CH:8]2)[CH2:6]1
| null |
US07326699B2_0282
| 2,008 |
Cl[C:6]([O:5][CH2:4][CH2:3][O:2][CH3:1])=[O:7].[NH2:8][CH2:9][C@H:10]1[CH2:11][C@@H:12]([n:13]2[cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][c:20]([O:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:29]3)[c:30]3[c:31]([NH2:32])[n:33][cH:34][n:35][c:36]23)[CH2:37]1>>[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[NH:8][CH2:9][C@H:10]1[CH2:11][C@@H:12]([n:13]2[cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][c:20]([O:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:29]3)[c:30]3[c:31]([NH2:32])[n:33][cH:34][n:35][c:36]23)[CH2:37]1
| 0.845077 |
COCCOC(=O)Cl.NC[C@@H]1C[C@H](n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1>>COCCOC(=O)NC[C@@H]1C[C@H](n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1
|
COCCOC(=O)Cl.NC[C@@H]1C[C@H](n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1>>COCCOC(=O)NC[C@@H]1C[C@H](n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1
|
US07326699B2_0282grants
|
822cfe48f699f774d8e1c33a56838721c2119d726046a1488d56e8fa
|
Cl[C:6]([O:5][CH2:4][CH2:3][O:2][CH3:1])=[O:7].[NH2:8][CH2:9][C@H:10]1[CH2:11][C@@H:12]([n:13]2[cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][c:20]([O:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:29]3)[c:30]3[c:31]([NH2:32])[n:33][cH:34][n:35][c:36]23)[CH2:37]1
|
[CH3:1][O:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[NH:8][CH2:9][C@H:10]1[CH2:11][C@@H:12]([n:13]2[cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][c:20]([O:21][CH2:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[cH:29]3)[c:30]3[c:31]([NH2:32])[n:33][cH:34][n:35][c:36]23)[CH2:37]1
|
([#8:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:5]-[C:4])>>(Cl-[C;H0;D3;+0:1](-[#8:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
|
98cae37dbd4becbb5eeeb17ac25b5fb2db3c9049590e6aeb6ef8603f
| 1 | 1 | null | 94 |
74,478 | 304,666 | 515,722 |
[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[C:20]([N+:21]([O-])=O)=[CH:19][CH:18]=[CH:17][N:16]=2)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[Sn]Cl.Cl>C1COCC1.CCOC(C)=O>[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[C:20]([NH2:21])=[CH:19][CH:18]=[CH:17][N:16]=2)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
| null |
US06248755B1_
| 2,001 |
C1CCOC1.CCOC(C)=O.Cl.Cl[Sn]Cl.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][cH:5][n:6][c:7]1[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][CH2:21]1>>[NH2:1][c:2]1[cH:3][cH:4][cH:5][n:6][c:7]1[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][CH2:21]1
| 0.876159 |
C1CCOC1.CCOC(C)=O.Cl.Cl[Sn]Cl.O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccccc2)CC1>>Nc1cccnc1NC1CCN(Cc2ccccc2)CC1
|
C1CCOC1.CCOC(C)=O.Cl.Cl[Sn]Cl.O=[N+]([O-])c1cccnc1NC1CCN(Cc2ccccc2)CC1>>Nc1cccnc1NC1CCN(Cc2ccccc2)CC1
|
US06248755B1_grants
|
09dd4053821ccb3aad0f24968634935dc84460c80fe0dc6817014a1b
|
C1CCOC1.CCOC(C)=O.Cl.Cl[Sn]Cl.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][cH:5][n:6][c:7]1[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][CH2:21]1
|
[NH2:1][c:2]1[cH:3][cH:4][cH:5][n:6][c:7]1[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][CH2:21]1
|
([#7;a:4]:[c:3]:[c:2]-[NH2;D1;+0:1])>>(O=[N+;H0;D3:1](-[O-])-[c:2]:[c:3]:[#7;a:4])
|
e69a09e0931e7bc26f571c5e2ed13b773c90943f0f6753349e287e32
| 1 | 1 |
C1CCOC1.CCOC(C)=O.Cl.Cl[Sn]Cl
| 269 |
250,180 | 829,952 | 1,376,013 |
[CH2:1]([O:8][C:9]([NH:11][C:12]1([C:15]([OH:17])=O)[CH2:14][CH2:13]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:42]([O:46][C:47](=[O:60])[NH:48][CH2:49][C:50]1[CH:55]=[CH:54][N:53]=[C:52]([C:56]2([NH2:59])[CH2:58][CH2:57]2)[CH:51]=1)([CH3:45])([CH3:44])[CH3:43].Cl>CN(C=O)C.CCOC(C)=O>[CH2:1]([O:8][C:9](=[O:10])[NH:11][C:12]1([C:15](=[O:17])[NH:59][C:56]2([C:52]3[CH:51]=[C:50]([CH2:49][NH:48][C:47]([O:46][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:60])[CH:55]=[CH:54][N:53]=3)[CH2:58][CH2:57]2)[CH2:13][CH2:14]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
|
|f:1.2|
|
US08552205B2_0550
| 2,013 |
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O[C:17](=[O:18])[C:19]1([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:31][CH2:32]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][n:13][c:14]([C:15]2([NH2:16])[CH2:33][CH2:34]2)[cH:35]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][n:13][c:14]([C:15]2([NH:16][C:17](=[O:18])[C:19]3([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH2:31][CH2:32]3)[CH2:33][CH2:34]2)[cH:35]1
| 0.296795 |
CC(C)(C)OC(=O)NCc1ccnc(C2(N)CC2)c1.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Cl.O=C(NC1(C(=O)O)CC1)OCc1ccccc1>>CC(C)(C)OC(=O)NCc1ccnc(C2(NC(=O)C3(NC(=O)OCc4ccccc4)CC3)CC2)c1
|
CC(C)(C)OC(=O)NCc1ccnc(C2(N)CC2)c1.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O=C(NC1(C(=O)O)CC1)OCc1ccccc1>>CC(C)(C)OC(=O)NCc1ccnc(C2(NC(=O)C3(NC(=O)OCc4ccccc4)CC3)CC2)c1
|
US08552205B2_0550grants
|
c8d2e753eb45d1e31d4f5cf9137763881783fb9bac9f417e4f94a2c2
|
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O[C:17](=[O:18])[C:19]1([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:31][CH2:32]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][n:13][c:14]([C:15]2([NH2:16])[CH2:33][CH2:34]2)[cH:35]1
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][n:13][c:14]([C:15]2([NH:16][C:17](=[O:18])[C:19]3([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[CH2:31][CH2:32]3)[CH2:33][CH2:34]2)[cH:35]1
|
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
|
9700dfbbea18932b10f40ed49527a6efd0b261364d0b5e3b1e240441
| 1 | 1 |
CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F
| 230 |
79,535 | 322,250 | 545,964 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:11]=[CH:12][CH:13]=1)[CH2:5][C@@H:6]([C:8]([OH:10])=[O:9])[NH2:7].[C:14]([O:18][C:19](O[C:19]([O:18][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:20])=[O:20])([CH3:17])([CH3:16])[CH3:15]>C(N(CC)CC)C.CO>[CH3:1][C:2]1[CH:3]=[C:4]([CH:11]=[CH:12][CH:13]=1)[CH2:5][C@@H:6]([C:8]([OH:10])=[O:9])[NH:7][C:19]([O:18][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:20]
|
|f:2.3|
|
US06353017B1_
| 2,002 |
CC(C)(C)OC(=O)O[C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].CCN(CC)CC.CO.[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@H:8]([NH2:9])[C:17](=[O:18])[OH:19])[cH:20]1>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@H:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[OH:19])[cH:20]1
| 0.296638 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC~CO.Cc1cccc(C[C@H](N)C(=O)O)c1>>Cc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
|
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.CO.Cc1cccc(C[C@H](N)C(=O)O)c1>>Cc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1
|
US06353017B1_grants
|
db6b5cb582283d2dd89aa8dec3ffc32e0a32955bdafce4f3a4b5561a
|
CC(C)(C)OC(=O)O[C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].CCN(CC)CC.CO.[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@H:8]([NH2:9])[C:17](=[O:18])[OH:19])[cH:20]1
|
[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@H:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[OH:19])[cH:20]1
|
([C;D1;H3:5]-[C:4](-[C;D1;H3:6])(-[C;D1;H3:7])-[#8:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:8]-[C:9]-[C:10](=[O;D1;H0:11])-[O;D1;H1:12])>>(C-C(-C)(-C)-O-C(=O)-O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[#8:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[C;D1;H3:7]).([NH2;D1;+0:8]-[C:9]-[C:10](=[O;D1;H0:11])-[O;D1;H1:12])
|
b0f77e38e2e40dd09d4d61605ac2ad3b8feaa3be7d39c24a661fd720
| 1 | 1 |
CCN(CC)CC.CO
| 626 |
92,959 | 363,917 | 620,958 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6](B(O)O)=[CH:5][CH:4]=1)#[N:2].Br[C:13]1[CH:18]=[C:17]([F:19])[C:16]([OH:20])=[C:15]([Cl:21])[CH:14]=1>>[Cl:21][C:15]1[CH:14]=[C:13]([C:6]2[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][CH:5]=2)[CH:18]=[C:17]([F:19])[C:16]=1[OH:20]
| null |
US06620839B2_
| 2,003 |
Br[c:7]1[cH:8][c:9]([F:10])[c:11]([OH:12])[c:13]([Cl:14])[cH:15]1.OB(O)[c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:17][cH:16]1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][c:9]([F:10])[c:11]([OH:12])[c:13]([Cl:14])[cH:15]2)[cH:16][cH:17]1
| 0.9531 |
N#Cc1ccc(B(O)O)cc1.Oc1c(F)cc(Br)cc1Cl>>N#Cc1ccc(-c2cc(F)c(O)c(Cl)c2)cc1
|
N#Cc1ccc(B(O)O)cc1.Oc1c(F)cc(Br)cc1Cl>>N#Cc1ccc(-c2cc(F)c(O)c(Cl)c2)cc1
|
US06620839B2_grants
|
39d2b5f4ccc9249f9b8fcbf600633477f6ed05eea16f3193d46e3f59
|
Br[c:7]1[cH:8][c:9]([F:10])[c:11]([OH:12])[c:13]([Cl:14])[cH:15]1.OB(O)[c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:17][cH:16]1
|
[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][c:9]([F:10])[c:11]([OH:12])[c:13]([Cl:14])[cH:15]2)[cH:16][cH:17]1
|
([c:2]:[c;H0;D3;+0:1](:[c:3])-[c;H0;D3;+0:4](:[c:5]):[c:6])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[c;H0;D3;+0:4](:[c:5]):[c:6])
|
55251936defc26e51bebc585e4f1cda158e89f53686fa5d9c09591aa
| 0.5 | 2 | null | 837 |
292,932 | 953,507 | 1,601,731 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][CH:6]([NH2:11])[CH2:5]2.[C:12]([O:16][C:17](=[O:22])[NH:18][CH2:19][CH:20]=O)([CH3:15])([CH3:14])[CH3:13].[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].C(Cl)Cl>C(Cl)Cl.CO>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][CH:6]([NH:11][CH2:20][CH2:19][NH:18][C:17](=[O:22])[O:16][C:12]([CH3:15])([CH3:14])[CH3:13])[CH2:5]2
|
|f:2.3,5.6|
|
US08999990B2_0377
| 2,015 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CO.ClCCl.ClCCl.O=[CH:10][CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].[NH2:11][CH:12]1[CH2:13][c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][c:20]2[CH2:21]1.[Na+]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][NH:11][CH:12]1[CH2:13][c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][c:20]2[CH2:21]1
| 0.582083 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CC(C)(C)OC(=O)NCC=O.CO~ClCCl.ClCCl.NC1Cc2ccc(Br)cc2C1>>CC(C)(C)OC(=O)NCCNC1Cc2ccc(Br)cc2C1
|
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CC(C)(C)OC(=O)NCC=O.CO.ClCCl.ClCCl.NC1Cc2ccc(Br)cc2C1.[Na+]>>CC(C)(C)OC(=O)NCCNC1Cc2ccc(Br)cc2C1
|
US08999990B2_0377grants
|
74d605914bc0976a3dd6e8953974061563f2001482cf065266ba6349
|
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CO.ClCCl.ClCCl.O=[CH:10][CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].[NH2:11][CH:12]1[CH2:13][c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][c:20]2[CH2:21]1.[Na+]
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][NH:11][CH:12]1[CH2:13][c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][c:20]2[CH2:21]1
|
([C:3]-[NH;D2;+0:4]-[CH2;D2;+0:1]-[C:2])>>(O=[CH;D2;+0:1]-[C:2]).([C:3]-[NH2;D1;+0:4])
|
491647e089969205d82bcdacc23232b9964014fa5e105ea540db7ba8
| 0.5 | 2 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CO.ClCCl.ClCCl.[Na+]
| 426 |
4,089 | 20,945 | 27,800 |
[NH2:1][C:2]([CH3:6])([CH3:5])[CH2:3][OH:4].[C:7](Cl)(=[O:14])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1>ClCCl>[C:7]([NH:1][C:2]([CH3:6])([CH3:5])[CH2:3][OH:4])(=[O:14])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
| null |
US04036843_
| 1,977 |
ClCCl.Cl[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:1][C:2]([CH3:3])([CH2:4][OH:5])[NH2:6]>>[CH3:1][C:2]([CH3:3])([CH2:4][OH:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1
| 0.715422 |
CC(C)(N)CO.ClCCl.O=C(Cl)c1ccccc1>>CC(C)(CO)NC(=O)c1ccccc1
|
CC(C)(N)CO.ClCCl.O=C(Cl)c1ccccc1>>CC(C)(CO)NC(=O)c1ccccc1
|
US04036843_grants
|
3a3fd7ffea94c4cebf8830135321e9d8d85349e68acd62d79f6ff2a1
|
ClCCl.Cl[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:1][C:2]([CH3:3])([CH2:4][OH:5])[NH2:6]
|
[CH3:1][C:2]([CH3:3])([CH2:4][OH:5])[NH:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1
|
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH2;D1;+0:5])
|
04f622b60f06614bfdc3f8c27947d26b216da996402159ccfe3a0fc7
| 1 | 1 |
ClCCl
| 271 |
417,303 | 1,731,262 | null |
[CH2:1]([O:8][C:9]1[C:10](=[O:28])[N:11]([CH2:19][O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:12](=[O:18])[N:13]([CH2:15][CH2:16]Br)[N:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[CH3:30][NH:31][CH3:32].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[CH2:1]([O:8][C:9]1[C:10](=[O:28])[N:11]([CH2:19][O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[C:12](=[O:18])[N:13]([CH2:15][CH2:16][N:31]([CH3:32])[CH3:30])[N:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
|
|f:1.2,3.4.5|
|
US20150218156A1_0342
| 2,015 |
Br[CH2:4][CH2:5][n:6]1[n:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17](=[O:18])[n:19]([CH2:20][O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]1=[O:30].CN(C)C=O.Cl.O=C([O-])[O-].[CH3:1][NH:2][CH3:3].[K+].[K+]>>[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][n:6]1[n:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17](=[O:18])[n:19]([CH2:20][O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]1=[O:30]
| 0.67002 |
CN(C)C=O.CNC~Cl.O=C([O-])[O-]~[K+]~[K+].O=c1c(OCc2ccccc2)nn(CCBr)c(=O)n1COCc1ccccc1>>CN(C)CCn1nc(OCc2ccccc2)c(=O)n(COCc2ccccc2)c1=O
|
CN(C)C=O.CNC.Cl.O=C([O-])[O-].O=c1c(OCc2ccccc2)nn(CCBr)c(=O)n1COCc1ccccc1.[K+].[K+]>>CN(C)CCn1nc(OCc2ccccc2)c(=O)n(COCc2ccccc2)c1=O
|
US20150218156A1_0342apps
|
53d7df220c33e6ea646e9a691cbc54301578c7206ab9f1d116c714c9
|
Br[CH2:4][CH2:5][n:6]1[n:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17](=[O:18])[n:19]([CH2:20][O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]1=[O:30].CN(C)C=O.Cl.O=C([O-])[O-].[CH3:1][NH:2][CH3:3].[K+].[K+]
|
[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][n:6]1[n:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17](=[O:18])[n:19]([CH2:20][O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]1=[O:30]
|
([C:2]-[CH2;D2;+0:1]-[N;H0;D3;+0:4](-[C;D1;H3:3])-[C;D1;H3:5])>>(Br-[CH2;D2;+0:1]-[C:2]).([C;D1;H3:3]-[NH;D2;+0:4]-[C;D1;H3:5])
|
53994dd2d8bb14288cdfb7c2951155e80ca49e2c98f7d531177a38b3
| 1 | 1 |
CN(C)C=O.Cl.O=C([O-])[O-].[K+].[K+]
| 73 |
62,809 | 264,390 | 447,276 |
[F:1][C:2]([F:17])([F:16])[C:3]1[CH:15]=[CH:14][C:6]([C:7]([NH:9][CH2:10][CH2:11][CH2:12][OH:13])=[O:8])=[CH:5][CH:4]=1.[CH2:18]([O:25][C:26]1[CH:31]=[C:30]([Cl:32])[C:29](O)=[C:28]([Cl:34])[CH:27]=1)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1>[CH2:18]([O:25][C:26]1[CH:27]=[C:28]([Cl:34])[C:29]([O:13][CH2:12][CH2:11][CH2:10][NH:9][C:7](=[O:8])[C:6]2[CH:14]=[CH:15][C:3]([C:2]([F:16])([F:17])[F:1])=[CH:4][CH:5]=2)=[C:30]([Cl:32])[CH:31]=1)[C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=1
| null |
US05952386_
| 1,999 |
C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.O[c:8]1[c:9]([Cl:10])[cH:11][c:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][c:22]1[Cl:23].[O:1]=[C:2]([NH:3][CH2:4][CH2:5][CH2:6][OH:7])[c:24]1[cH:25][cH:26][c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33]1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>[O:1]=[C:2]([NH:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([Cl:10])[cH:11][c:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][c:22]1[Cl:23])[c:24]1[cH:25][cH:26][c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33]1
| 0.198961 |
C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.O=C(NCCCO)c1ccc(C(F)(F)F)cc1.Oc1c(Cl)cc(OCc2ccccc2)cc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>O=C(NCCCOc1c(Cl)cc(OCc2ccccc2)cc1Cl)c1ccc(C(F)(F)F)cc1
|
C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.O=C(NCCCO)c1ccc(C(F)(F)F)cc1.Oc1c(Cl)cc(OCc2ccccc2)cc1Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>O=C(NCCCOc1c(Cl)cc(OCc2ccccc2)cc1Cl)c1ccc(C(F)(F)F)cc1
|
US05952386_grants
|
f665ee4c80448b2ec29948fb05d2507d82dad5acfee38f1ba29a3196
|
C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.O[c:8]1[c:9]([Cl:10])[cH:11][c:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][c:22]1[Cl:23].[O:1]=[C:2]([NH:3][CH2:4][CH2:5][CH2:6][OH:7])[c:24]1[cH:25][cH:26][c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33]1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
|
[O:1]=[C:2]([NH:3][CH2:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([Cl:10])[cH:11][c:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][c:22]1[Cl:23])[c:24]1[cH:25][cH:26][c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33]1
|
([C:4]-[O;H0;D2;+0:5]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(O-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[OH;D1;+0:5])
|
46f7f0f569afad838b6b9776a79aa8ecdc84d03af6670b5f34b3e8e8
| 0.5 | 2 |
C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
| 550 |
210,340 | 711,484 | 1,172,493 |
C1C(=O)N([Br:8])C(=O)C1.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1.[I:27][C:28]1[CH:33]=[CH:32][C:31]([CH3:34])=[C:30]([N+:35]([O-:37])=[O:36])[CH:29]=1>C(Cl)(Cl)(Cl)Cl>[Br:8][CH2:34][C:31]1[CH:32]=[CH:33][C:28]([I:27])=[CH:29][C:30]=1[N+:35]([O-:37])=[O:36]
| null |
US08148503B2_0248
| 2,012 |
ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1[Br:12].[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][c:6]([I:7])[cH:8][cH:9][c:10]1[CH3:11]>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][c:6]([I:7])[cH:8][cH:9][c:10]1[CH2:11][Br:12]
| 0.934759 |
Cc1ccc(I)cc1[N+](=O)[O-].ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1Br>>O=[N+]([O-])c1cc(I)ccc1CBr
|
Cc1ccc(I)cc1[N+](=O)[O-].ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1Br>>O=[N+]([O-])c1cc(I)ccc1CBr
|
US08148503B2_0248grants
|
078d9b0b2c42e25ae84bcfdf23feca40efb2907f31d5eaaa4e56d74a
|
ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1[Br:12].[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][c:6]([I:7])[cH:8][cH:9][c:10]1[CH3:11]
|
[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][c:6]([I:7])[cH:8][cH:9][c:10]1[CH2:11][Br:12]
|
([Br;H0;D1;+0:1]-[CH2;D2;+0:2]-[c:3])>>(O=C1-C-C-C(=O)-N-1-[Br;H0;D1;+0:1]).([CH3;D1;+0:2]-[c:3])
|
eece798354409c857729b8ffcb1d9784ebdca6b0d62c935232f02dc9
| 1 | 1 |
ClC(Cl)(Cl)Cl.O=C(OOC(=O)c1ccccc1)c1ccccc1
| 29 |
427,309 | 1,818,622 | null |
[F:1][C:2]([F:17])([C:6]1[CH:11]=[CH:10][C:9]([F:12])=[CH:8][C:7]=1[O:13][CH:14]([CH3:16])[CH3:15])[C:3]([OH:5])=O.O=P(Cl)(Cl)Cl.Cl.[NH2:24][CH2:25][C:26]1[CH:27]=[C:28]2[C:32](=[CH:33][CH:34]=1)[C:31](=[O:35])[N:30]([CH:36]1[CH2:41][CH2:40][C:39](=[O:42])[NH:38][C:37]1=[O:43])[CH2:29]2.C(=O)(O)[O-].[Na+]>N1C=CC=CC=1>[O:43]=[C:37]1[CH:36]([N:30]2[CH2:29][C:28]3[C:32](=[CH:33][CH:34]=[C:26]([CH2:25][NH:24][C:3](=[O:5])[C:2]([F:1])([F:17])[C:6]4[CH:11]=[CH:10][C:9]([F:12])=[CH:8][C:7]=4[O:13][CH:14]([CH3:16])[CH3:15])[CH:27]=3)[C:31]2=[O:35])[CH2:41][CH2:40][C:39](=[O:42])[NH:38]1
|
|f:2.3,4.5|
|
US20160009683A1_0955
| 2,016 |
Cl.O=C([O-])O.O=P(Cl)(Cl)Cl.O[C:15]([C:12]([c:11]1[c:5]([O:4][CH:2]([CH3:1])[CH3:3])[cH:6][c:7]([F:8])[cH:9][cH:10]1)([F:13])[F:14])=[O:16].[NH2:17][CH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:24]1)[CH2:25][N:26]([CH:27]1[CH2:28][CH2:29][C:30](=[O:31])[NH:32][C:33]1=[O:34])[C:35]2=[O:36].[Na+].c1ccncc1>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][c:7]([F:8])[cH:9][cH:10][c:11]1[C:12]([F:13])([F:14])[C:15](=[O:16])[NH:17][CH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:24]1)[CH2:25][N:26]([CH:27]1[CH2:28][CH2:29][C:30](=[O:31])[NH:32][C:33]1=[O:34])[C:35]2=[O:36]
| 0.528392 |
CC(C)Oc1cc(F)ccc1C(F)(F)C(=O)O.Cl~NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C([O-])O~[Na+].O=P(Cl)(Cl)Cl.c1ccncc1>>CC(C)Oc1cc(F)ccc1C(F)(F)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
CC(C)Oc1cc(F)ccc1C(F)(F)C(=O)O.Cl.NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.O=C([O-])O.O=P(Cl)(Cl)Cl.[Na+].c1ccncc1>>CC(C)Oc1cc(F)ccc1C(F)(F)C(=O)NCc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
|
US20160009683A1_0955apps
|
97610e32b7d7f63d922b36da722e1b99bee1717eaef8cea6e3144a65
|
Cl.O=C([O-])O.O=P(Cl)(Cl)Cl.O[C:15]([C:12]([c:11]1[c:5]([O:4][CH:2]([CH3:1])[CH3:3])[cH:6][c:7]([F:8])[cH:9][cH:10]1)([F:13])[F:14])=[O:16].[NH2:17][CH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:24]1)[CH2:25][N:26]([CH:27]1[CH2:28][CH2:29][C:30](=[O:31])[NH:32][C:33]1=[O:34])[C:35]2=[O:36].[Na+].c1ccncc1
|
[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][c:7]([F:8])[cH:9][cH:10][c:11]1[C:12]([F:13])([F:14])[C:15](=[O:16])[NH:17][CH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:24]1)[CH2:25][N:26]([CH:27]1[CH2:28][CH2:29][C:30](=[O:31])[NH:32][C:33]1=[O:34])[C:35]2=[O:36]
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)
|
5ad7c2cc16d6ee5b57312b54d1398a8d361f2cfad0dc66add676f018
| 1 | 1 |
Cl.O=C([O-])O.O=P(Cl)(Cl)Cl.[Na+].c1ccncc1
| 599 |
342,748 | 354,278 | null |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:22]=[C:23]([O:25][CH3:26])[CH:24]=1)[C:5]([NH:7][CH2:8][C:9]1[CH:19]=[CH:18][C:17]([C:20]#[N:21])=[CH:16][C:10]=1[O:11][CH2:12][C:13](O)=[O:14])=[O:6].Cl.[CH3:28][O:29][C:30](=[O:35])[C:31]([NH2:34])([CH3:33])[CH3:32]>>[CH3:28][O:29][C:30](=[O:35])[C:31]([NH:34][C:13](=[O:14])[CH2:12][O:11][C:10]1[CH:16]=[C:17]([C:20]#[N:21])[CH:18]=[CH:19][C:9]=1[CH2:8][NH:7][C:5](=[O:6])[C:4]1[CH:22]=[C:23]([O:25][CH3:26])[CH:24]=[C:2]([Cl:1])[CH:3]=1)([CH3:33])[CH3:32]
|
|f:1.2|
|
US20060116410A1_0550
| 2,006 |
Cl.O[C:9](=[O:10])[CH2:11][O:12][c:13]1[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][c:20]1[CH2:21][NH:22][C:23](=[O:24])[c:25]1[cH:26][c:27]([Cl:28])[cH:29][c:30]([O:31][CH3:32])[cH:33]1.[CH3:1][O:2][C:3](=[O:4])[C:5]([CH3:6])([CH3:7])[NH2:8]>>[CH3:1][O:2][C:3](=[O:4])[C:5]([CH3:6])([CH3:7])[NH:8][C:9](=[O:10])[CH2:11][O:12][c:13]1[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][c:20]1[CH2:21][NH:22][C:23](=[O:24])[c:25]1[cH:26][c:27]([Cl:28])[cH:29][c:30]([O:31][CH3:32])[cH:33]1
| 0.663367 |
COC(=O)C(C)(C)N~Cl.COc1cc(Cl)cc(C(=O)NCc2ccc(C#N)cc2OCC(=O)O)c1>>COC(=O)C(C)(C)NC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)cc(OC)c1
|
COC(=O)C(C)(C)N.COc1cc(Cl)cc(C(=O)NCc2ccc(C#N)cc2OCC(=O)O)c1.Cl>>COC(=O)C(C)(C)NC(=O)COc1cc(C#N)ccc1CNC(=O)c1cc(Cl)cc(OC)c1
|
US20060116410A1_0550apps
|
550f82fadfcc152d9bb0eb726fd39f2d3cef3f5f6d723f712016dc76
|
Cl.O[C:9](=[O:10])[CH2:11][O:12][c:13]1[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][c:20]1[CH2:21][NH:22][C:23](=[O:24])[c:25]1[cH:26][c:27]([Cl:28])[cH:29][c:30]([O:31][CH3:32])[cH:33]1.[CH3:1][O:2][C:3](=[O:4])[C:5]([CH3:6])([CH3:7])[NH2:8]
|
[CH3:1][O:2][C:3](=[O:4])[C:5]([CH3:6])([CH3:7])[NH:8][C:9](=[O:10])[CH2:11][O:12][c:13]1[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19][c:20]1[CH2:21][NH:22][C:23](=[O:24])[c:25]1[cH:26][c:27]([Cl:28])[cH:29][c:30]([O:31][CH3:32])[cH:33]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:9]-[C:8]-[C:6](=[O;D1;H0:7])-[#8:5]-[C;D1;H3:4])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C;D1;H3:4]-[#8:5]-[C:6](=[O;D1;H0:7])-[C:8]-[NH2;D1;+0:9])
|
d902def43cc99d31140c9ddd32b2c934b92d7aa1b24f69887a6b7a98
| 1 | 1 |
Cl
| 129 |
103,250 | 394,897 | 674,906 |
[CH2:1]([C@H:8]([NH:21][C:22](=[O:31])[O:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C:9]([NH:11][CH2:12][CH2:13][CH:14](OCC)[O:15]CC)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl>O1CCCC1>[CH2:1]([C@H:8]([NH:21][C:22](=[O:31])[O:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)[C:9](=[O:10])[NH:11][CH2:12][CH2:13][CH:14]=[O:15])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
| null |
US06858591B2_00336
| 2,005 |
C1CCOC1.CCO[CH:2]([O:1]CC)[CH2:3][CH2:4][NH:5][C:6](=[O:7])[C@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.Cl>>[O:1]=[CH:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[C@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1
| 0.500442 |
C1CCOC1.CCOC(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCC.Cl>>O=CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
C1CCOC1.CCOC(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCC.Cl>>O=CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
|
US06858591B2_00336grants
|
5fda69e4c343aec834ca29b2d3b84d747f8bbfc2cb676678672bce86
|
C1CCOC1.CCO[CH:2]([O:1]CC)[CH2:3][CH2:4][NH:5][C:6](=[O:7])[C@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.Cl
|
[O:1]=[CH:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[C@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1
|
([C:2]-[CH;D2;+0:1]=[O;H0;D1;+0:3])>>(C-C-O-[CH;D3;+0:1](-[C:2])-[O;H0;D2;+0:3]-C-C)
|
c6aa92c1629c5b64400c886935638b7b3f5321965d97c9db33cc5f6f
| 1 | 1 |
C1CCOC1.Cl
| 409 |
325,900 | 1,058,547 | 1,797,828 |
[F:1][C:2]1[C:9]([O:10][CH3:11])=[CH:8][CH:7]=[C:6]([F:12])[C:3]=1[CH:4]=[O:5].[BH4-].[Na+]>C(O)C>[F:1][C:2]1[C:9]([O:10][CH3:11])=[CH:8][CH:7]=[C:6]([F:12])[C:3]=1[CH2:4][OH:5]
|
|f:1.2|
|
US09422285B2_1896
| 2,016 |
CCO.[BH4-].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([F:7])[c:8]([CH:9]=[O:10])[c:11]1[F:12].[Na+]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([F:7])[c:8]([CH2:9][OH:10])[c:11]1[F:12]
| 0.987776 |
CCO.COc1ccc(F)c(C=O)c1F.[BH4-]~[Na+]>>COc1ccc(F)c(CO)c1F
|
CCO.COc1ccc(F)c(C=O)c1F.[BH4-].[Na+]>>COc1ccc(F)c(CO)c1F
|
US09422285B2_1896grants
|
dcd3cbf375300a24f3a645adf21d72ec1a25d9aa34911e56e64d1591
|
CCO.[BH4-].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([F:7])[c:8]([CH:9]=[O:10])[c:11]1[F:12].[Na+]
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([F:7])[c:8]([CH2:9][OH:10])[c:11]1[F:12]
|
([OH;D1;+0:1]-[CH2;D2;+0:2]-[c:3])>>([O;H0;D1;+0:1]=[CH;D2;+0:2]-[c:3])
|
840c26c06ae3d1e03b5c3844632a3543b6d18e6db9d7ee28fbdda31c
| 1 | 1 |
CCO.[BH4-].[Na+]
| 356 |
215,044 | 724,287 | 1,192,192 |
[N+:1]([C:4]1[CH:5]=[C:6]([NH:11][C:12]2[N:17]=[C:16]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[CH:15]=[CH:14][N:13]=2)[C:7]([CH3:10])=[N:8][CH:9]=1)([O-])=O.[H][H]>CO.[Ni]>[NH2:1][C:4]1[CH:5]=[C:6]([NH:11][C:12]2[N:17]=[C:16]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[CH:15]=[CH:14][N:13]=2)[C:7]([CH3:10])=[N:8][CH:9]=1
| null |
US08183242B2_0103
| 2,012 |
CO.O=[N+:6]([O-])[c:5]1[cH:4][n:3][c:2]([CH3:1])[c:8]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:15]3[cH:16][cH:17][cH:18][n:19][cH:20]3)[n:21]2)[cH:7]1.[H][H].[Ni]>>[CH3:1][c:2]1[n:3][cH:4][c:5]([NH2:6])[cH:7][c:8]1[NH:9][c:10]1[n:11][cH:12][cH:13][c:14](-[c:15]2[cH:16][cH:17][cH:18][n:19][cH:20]2)[n:21]1
| 0.996043 |
CO.Cc1ncc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1.[H][H].[Ni]>>Cc1ncc(N)cc1Nc1nccc(-c2cccnc2)n1
|
CO.Cc1ncc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1.[H][H].[Ni]>>Cc1ncc(N)cc1Nc1nccc(-c2cccnc2)n1
|
US08183242B2_0103grants
|
b66bb8be7a9f2fdb5bbcbb26ecc68ad779bd1f7861bfeb01b999e8c0
|
CO.O=[N+:6]([O-])[c:5]1[cH:4][n:3][c:2]([CH3:1])[c:8]([NH:9][c:10]2[n:11][cH:12][cH:13][c:14](-[c:15]3[cH:16][cH:17][cH:18][n:19][cH:20]3)[n:21]2)[cH:7]1.[H][H].[Ni]
|
[CH3:1][c:2]1[n:3][cH:4][c:5]([NH2:6])[cH:7][c:8]1[NH:9][c:10]1[n:11][cH:12][cH:13][c:14](-[c:15]2[cH:16][cH:17][cH:18][n:19][cH:20]2)[n:21]1
|
([#7;a:4]:[c:3]:[c:2]-[NH2;D1;+0:1])>>(O=[N+;H0;D3:1](-[O-])-[c:2]:[c:3]:[#7;a:4])
|
e69a09e0931e7bc26f571c5e2ed13b773c90943f0f6753349e287e32
| 1 | 1 |
CO.[H][H].[Ni]
| 269 |
278,100 | 911,729 | 1,523,709 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:12]3[CH2:13][C:14]4[S:15][CH:16]=[CH:17][C:18]=4[C:11]=3[N:10]([CH2:19][O:20][CH2:21][CH2:22][Si:23]([CH3:26])([CH3:25])[CH3:24])[N:9]=2)=[CH:4][CH:3]=1.[N:27]1[CH:32]=[CH:31][C:30]([NH2:33])=[CH:29][CH:28]=1.C([O-])([O-])=O.[Cs+].[Cs+].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2>O1CCOCC1.CC([O-])=O.CC([O-])=O.[Pd+2]>[N:27]1[CH:32]=[CH:31][C:30]([NH:33][C:2]2[CH:7]=[CH:6][C:5]([C:8]3[C:12]4[CH2:13][C:14]5[S:15][CH:16]=[CH:17][C:18]=5[C:11]=4[N:10]([CH2:19][O:20][CH2:21][CH2:22][Si:23]([CH3:26])([CH3:25])[CH3:24])[N:9]=3)=[CH:4][CH:3]=2)=[CH:29][CH:28]=1
|
|f:2.3.4,7.8.9|
|
US08853207B2_0332
| 2,014 |
Br[c:15]1[cH:14][cH:13][c:12](-[c:11]2[n:10][n:9]([CH2:8][O:7][CH2:6][CH2:5][Si:2]([CH3:1])([CH3:3])[CH3:4])[c:26]3[c:25]2[CH2:32][c:31]2[c:27]-3[cH:28][cH:29][s:30]2)[cH:24][cH:23]1.C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[NH2:16][c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1.[Pd+2]>>[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[n:10][c:11](-[c:12]2[cH:13][cH:14][c:15]([NH:16][c:17]3[cH:18][cH:19][n:20][cH:21][cH:22]3)[cH:23][cH:24]2)[c:25]2[c:26]1-[c:27]1[cH:28][cH:29][s:30][c:31]1[CH2:32]2
| 0.366021 |
C1COCCO1.CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)c2c1-c1ccsc1C2.Nc1ccncc1.O=C([O-])[O-]~[Cs+]~[Cs+]>>C[Si](C)(C)CCOCn1nc(-c2ccc(Nc3ccncc3)cc2)c2c1-c1ccsc1C2
|
C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.C[Si](C)(C)CCOCn1nc(-c2ccc(Br)cc2)c2c1-c1ccsc1C2.Nc1ccncc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd+2]>>C[Si](C)(C)CCOCn1nc(-c2ccc(Nc3ccncc3)cc2)c2c1-c1ccsc1C2
|
US08853207B2_0332grants
|
ab19b3497fcd8cd3abcd907c16bf319b27addb45be7d2943bf9e512f
|
Br[c:15]1[cH:14][cH:13][c:12](-[c:11]2[n:10][n:9]([CH2:8][O:7][CH2:6][CH2:5][Si:2]([CH3:1])([CH3:3])[CH3:4])[c:26]3[c:25]2[CH2:32][c:31]2[c:27]-3[cH:28][cH:29][s:30]2)[cH:24][cH:23]1.C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[NH2:16][c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1.[Pd+2]
|
[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[n:10][c:11](-[c:12]2[cH:13][cH:14][c:15]([NH:16][c:17]3[cH:18][cH:19][n:20][cH:21][cH:22]3)[cH:23][cH:24]2)[c:25]2[c:26]1-[c:27]1[cH:28][cH:29][s:30][c:31]1[CH2:32]2
|
([c:2]:[c;H0;D3;+0:1](:[c:3])-[NH;D2;+0:4]-[c:5])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).([NH2;D1;+0:4]-[c:5])
|
c4f108b12719c39b2aa28b4489e5c7c15d1240c9e8fd5aefb447933a
| 0.5 | 2 |
C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd+2]
| 405 |
155,780 | 553,758 | 926,101 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][C:12](=[O:14])[NH:11][C:10]([CH3:15])=[C:9]2[C:16]([OH:18])=O)=[C:4]([F:19])[CH:3]=1.[Cl:20][C:21]1[C:29]2[C:24](=[CH:25][CH:26]=[C:27]([NH2:30])[CH:28]=2)[NH:23][N:22]=1.N=C=N>CN(C=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][C:12](=[O:14])[NH:11][C:10]([CH3:15])=[C:9]2[C:16]([NH:30][C:27]2[CH:28]=[C:29]3[C:24](=[CH:25][CH:26]=2)[NH:23][N:22]=[C:21]3[Cl:20])=[O:18])=[C:4]([F:19])[CH:3]=1
| null |
US07592357B2_0233
| 2,009 |
CN(C)C=O.N=C=N.O[C:4]([C:3]1=[C:2]([CH3:1])[NH:29][C:27](=[O:28])[CH2:26][CH:17]1[c:18]1[cH:19][cH:20][c:21]([Cl:22])[cH:23][c:24]1[F:25])=[O:5].[NH2:6][c:7]1[cH:8][cH:9][c:10]2[nH:11][n:12][c:13]([Cl:14])[c:15]2[cH:16]1>>[CH3:1][C:2]1=[C:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]3[nH:11][n:12][c:13]([Cl:14])[c:15]3[cH:16]2)[CH:17]([c:18]2[cH:19][cH:20][c:21]([Cl:22])[cH:23][c:24]2[F:25])[CH2:26][C:27](=[O:28])[NH:29]1
| 0.889456 |
CC1=C(C(=O)O)C(c2ccc(Cl)cc2F)CC(=O)N1.CN(C)C=O.N=C=N.Nc1ccc2[nH]nc(Cl)c2c1>>CC1=C(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)C(c2ccc(Cl)cc2F)CC(=O)N1
|
CC1=C(C(=O)O)C(c2ccc(Cl)cc2F)CC(=O)N1.CN(C)C=O.N=C=N.Nc1ccc2[nH]nc(Cl)c2c1>>CC1=C(C(=O)Nc2ccc3[nH]nc(Cl)c3c2)C(c2ccc(Cl)cc2F)CC(=O)N1
|
US07592357B2_0233grants
|
49726ab12924b114bfeace513e2462a847930d6e48b29581089fe95b
|
CN(C)C=O.N=C=N.O[C:4]([C:3]1=[C:2]([CH3:1])[NH:29][C:27](=[O:28])[CH2:26][CH:17]1[c:18]1[cH:19][cH:20][c:21]([Cl:22])[cH:23][c:24]1[F:25])=[O:5].[NH2:6][c:7]1[cH:8][cH:9][c:10]2[nH:11][n:12][c:13]([Cl:14])[c:15]2[cH:16]1
|
[CH3:1][C:2]1=[C:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10]3[nH:11][n:12][c:13]([Cl:14])[c:15]3[cH:16]2)[CH:17]([c:18]2[cH:19][cH:20][c:21]([Cl:22])[cH:23][c:24]2[F:25])[CH2:26][C:27](=[O:28])[NH:29]1
|
([C:4]=[C:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:5]-[c:6])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[C:3]=[C:4]).([NH2;D1;+0:5]-[c:6])
|
54665828ddd6ac8c2c1b3b7f69e51e0fb3c1c0a7e1dcbbe9290a320d
| 1 | 1 |
CN(C)C=O.N=C=N
| 170 |
194,278 | 667,128 | 1,103,545 |
Cl[C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:11]([F:14])([F:13])[F:12])=[N:9][N:10]=2)[N:7]=1.[CH2:15]([N:22]1[CH2:27][C@@H:26]([CH3:28])[NH:25][CH2:24][C@@H:23]1[CH3:29])[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH2:15]([N:22]1[C@@H:23]([CH3:29])[CH2:24][N:25]([C:2]2[CH:3]=[CH:4][C:5]3[N:6]([C:8]([C:11]([F:14])([F:13])[F:12])=[N:9][N:10]=3)[N:7]=2)[C@H:26]([CH3:28])[CH2:27]1)[C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1
| null |
US08003649B2_1200
| 2,011 |
CCN(C(C)C)C(C)C.CN(C)C=O.Cl[c:5]1[cH:6][cH:7][c:8]2[n:9][n:10][c:11]([C:12]([F:13])([F:14])[F:15])[n:16]2[n:17]1.[CH3:1][C@H:2]1[CH2:3][NH:4][C@H:18]([CH3:19])[CH2:20][N:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH3:1][C@H:2]1[CH2:3][N:4]([c:5]2[cH:6][cH:7][c:8]3[n:9][n:10][c:11]([C:12]([F:13])([F:14])[F:15])[n:16]3[n:17]2)[C@H:18]([CH3:19])[CH2:20][N:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1
| 0.288607 |
CCN(C(C)C)C(C)C.CN(C)C=O.C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1.FC(F)(F)c1nnc2ccc(Cl)nn12>>C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc2nnc(C(F)(F)F)n2n1
|
CCN(C(C)C)C(C)C.CN(C)C=O.C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1.FC(F)(F)c1nnc2ccc(Cl)nn12>>C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1ccc2nnc(C(F)(F)F)n2n1
|
US08003649B2_1200grants
|
74236cd3d35bbd514fe9c21cf52838365a7beedaf25c22f7f3e8de67
|
CCN(C(C)C)C(C)C.CN(C)C=O.Cl[c:5]1[cH:6][cH:7][c:8]2[n:9][n:10][c:11]([C:12]([F:13])([F:14])[F:15])[n:16]2[n:17]1.[CH3:1][C@H:2]1[CH2:3][NH:4][C@H:18]([CH3:19])[CH2:20][N:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1
|
[CH3:1][C@H:2]1[CH2:3][N:4]([c:5]2[cH:6][cH:7][c:8]3[n:9][n:10][c:11]([C:12]([F:13])([F:14])[F:15])[n:16]3[n:17]2)[C@H:18]([CH3:19])[CH2:20][N:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1
|
([#7;a:4]:[#7;a:3]:[c;H0;D3;+0:1](:[c:2])-[N;H0;D3;+0:6](-[C:5])-[C:7])>>(Cl-[c;H0;D3;+0:1](:[c:2]):[#7;a:3]:[#7;a:4]).([C:5]-[NH;D2;+0:6]-[C:7])
|
985a0b0463f88646e6a35c0ff595cbd75ebed1b523deff0ac5075e82
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C=O
| 406 |
45,329 | 198,781 | 321,164 |
[CH:1]1([CH2:4][O:5][C:6]2[CH:7]=[C:8]([CH:11]=[CH:12][C:13]=2[O:14][CH:15]([F:17])[F:16])[CH:9]=[O:10])[CH2:3][CH2:2]1.[BH4-].[Na+].[OH-].[Na+]>C(O)C>[CH:1]1([CH2:4][O:5][C:6]2[CH:7]=[C:8]([CH:11]=[CH:12][C:13]=2[O:14][CH:15]([F:16])[F:17])[CH2:9][OH:10])[CH2:3][CH2:2]1
|
|f:1.2,3.4|
|
US05449686_
| 1,995 |
CCO.[BH4-].[Na+].[Na+].[O:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]([F:9])[F:10])[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16]2)[cH:17]1.[OH-]>>[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]([F:9])[F:10])[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16]2)[cH:17]1
| 0.581597 |
CCO.O=Cc1ccc(OC(F)F)c(OCC2CC2)c1.[BH4-]~[Na+].[Na+]~[OH-]>>OCc1ccc(OC(F)F)c(OCC2CC2)c1
|
CCO.O=Cc1ccc(OC(F)F)c(OCC2CC2)c1.[BH4-].[Na+].[Na+].[OH-]>>OCc1ccc(OC(F)F)c(OCC2CC2)c1
|
US05449686_grants
|
4d4061c6f11ed490e49f83668c817f4d2bc56450c1c949bac7dd3f23
|
CCO.[BH4-].[Na+].[Na+].[O:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]([F:9])[F:10])[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16]2)[cH:17]1.[OH-]
|
[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH:8]([F:9])[F:10])[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16]2)[cH:17]1
|
([OH;D1;+0:1]-[CH2;D2;+0:2]-[c:3])>>([O;H0;D1;+0:1]=[CH;D2;+0:2]-[c:3])
|
840c26c06ae3d1e03b5c3844632a3543b6d18e6db9d7ee28fbdda31c
| 1 | 1 |
CCO.[BH4-].[Na+].[Na+].[OH-]
| 356 |
353,325 | 518,938 | null |
[F:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][CH:10]=2)[CH:5]=[CH:6][C:7]=1[NH2:8].[Br:19]Br>C(O)(=O)C>[Br:19][C:6]1[CH:5]=[C:4]([C:9]2[CH:10]=[CH:11][C:12]([C:15]([F:16])([F:17])[F:18])=[CH:13][CH:14]=2)[CH:3]=[C:2]([F:1])[C:7]=1[NH2:8]
| null |
US20070265345A1_0237
| 2,007 |
Br[Br:19].CC(=O)O.[NH2:1][c:2]1[c:3]([F:4])[cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1>>[NH2:1][c:2]1[c:3]([F:4])[cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][c:18]1[Br:19]
| 0.156478 |
BrBr.CC(=O)O.Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F>>Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1Br
|
BrBr.CC(=O)O.Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F>>Nc1c(F)cc(-c2ccc(C(F)(F)F)cc2)cc1Br
|
US20070265345A1_0237apps
|
6851b4288fd8626355959f508c6f4f1f9a527ed6f3e461aae431f70b
|
Br[Br:19].CC(=O)O.[NH2:1][c:2]1[c:3]([F:4])[cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][cH:18]1
|
[NH2:1][c:2]1[c:3]([F:4])[cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[cH:17][c:18]1[Br:19]
|
([Br;H0;D1;+0:1]-[c;H0;D3;+0:3](:[c:2]):[c:4])>>(Br-[Br;H0;D1;+0:1]).([c:2]:[cH;D2;+0:3]:[c:4])
|
d6d40ee9982f41488f9d4f37bc30409025fbbda89ae319dea876f903
| 1 | 1 |
CC(=O)O
| 98 |
39,828 | 177,969 | 285,918 |
[F:1][C:2]([F:13])([F:12])[C:3]([OH:11])([C:7]([F:10])([F:9])[F:8])[C:4]([OH:6])=O.C(N1C=CN=C1)(N1C=CN=C1)=O.[NH2:26][C:27]1[CH:41]=[CH:40][C:30]([C:31]([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][C:34]=2[F:39])=[O:32])=[CH:29][CH:28]=1>O1CCCC1>[F:39][C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][C:33]=1[C:31]([C:30]1[CH:29]=[CH:28][C:27]([NH:26][C:4](=[O:6])[C:3]([OH:11])([C:2]([F:1])([F:13])[F:12])[C:7]([F:10])([F:9])[F:8])=[CH:41][CH:40]=1)=[O:32]
| null |
US05272163_
| 1,993 |
C1CCOC1.O=C(n1ccnc1)n1ccnc1.O[C:8](=[O:9])[C:10]([OH:11])([C:12]([F:13])([F:14])[F:15])[C:16]([F:17])([F:18])[F:19].[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[F:28]>>[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][C:8](=[O:9])[C:10]([OH:11])([C:12]([F:13])([F:14])[F:15])[C:16]([F:17])([F:18])[F:19])[cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[F:28]
| 0.081384 |
C1CCOC1.Nc1ccc(C(=O)c2ccccc2F)cc1.O=C(O)C(O)(C(F)(F)F)C(F)(F)F.O=C(n1ccnc1)n1ccnc1>>O=C(c1ccc(NC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1F
|
C1CCOC1.Nc1ccc(C(=O)c2ccccc2F)cc1.O=C(O)C(O)(C(F)(F)F)C(F)(F)F.O=C(n1ccnc1)n1ccnc1>>O=C(c1ccc(NC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1F
|
US05272163_grants
|
a4273c84700b145e61909b442e1558e98be23e5435f91a3dd5459f06
|
C1CCOC1.O=C(n1ccnc1)n1ccnc1.O[C:8](=[O:9])[C:10]([OH:11])([C:12]([F:13])([F:14])[F:15])[C:16]([F:17])([F:18])[F:19].[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]([NH2:7])[cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[F:28]
|
[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]([NH:7][C:8](=[O:9])[C:10]([OH:11])([C:12]([F:13])([F:14])[F:15])[C:16]([F:17])([F:18])[F:19])[cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[F:28]
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH2;D1;+0:4]-[c:5])
|
993a80a34f6acdc22e1630fbdadc440460d93877c75dd17e7db680f0
| 1 | 1 |
C1CCOC1.O=C(n1ccnc1)n1ccnc1
| 365 |
342,212 | 344,435 | null |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([NH:14][C@H:15]([C:23]([O:25][CH3:26])=[O:24])[CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[CH:9]=2)=[CH:4][CH:3]=1.[CH3:27][O:28][C:29]1[CH:30]=[C:31]([CH:34]=[CH:35][CH:36]=1)[CH2:32]Br.C(=O)([O-])[O-].[K+].[K+]>CC(C)=O>[CH3:27][O:28][C:29]1[CH:30]=[C:31]([CH:34]=[CH:35][CH:36]=1)[CH2:32][O:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([NH:14][C@H:15]([C:23]([O:25][CH3:26])=[O:24])[CH2:16][C:17]3[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=3)[CH:9]=2)=[CH:6][CH:7]=1
|
|f:2.3.4|
|
US20060089371A1_0742
| 2,006 |
Br[CH2:24][c:25]1[cH:26][cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32]1.CC(C)=O.O=C([O-])[O-].[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][c:14]1[cH:15][cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([OH:23])[cH:33][cH:34]2)[cH:35]1.[K+].[K+]>>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][c:14]1[cH:15][cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32]3)[cH:33][cH:34]2)[cH:35]1
| 0.8977 |
CC(C)=O.COC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2ccc(O)cc2)c1.COc1cccc(CBr)c1.O=C([O-])[O-]~[K+]~[K+]>>COC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2ccc(OCc3cccc(OC)c3)cc2)c1
|
CC(C)=O.COC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2ccc(O)cc2)c1.COc1cccc(CBr)c1.O=C([O-])[O-].[K+].[K+]>>COC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2ccc(OCc3cccc(OC)c3)cc2)c1
|
US20060089371A1_0742apps
|
a7ae48318e900db8445e3539df3d34a204a84094657e818d0f3d6e85
|
Br[CH2:24][c:25]1[cH:26][cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32]1.CC(C)=O.O=C([O-])[O-].[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][c:14]1[cH:15][cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([OH:23])[cH:33][cH:34]2)[cH:35]1.[K+].[K+]
|
[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][c:14]1[cH:15][cH:16][cH:17][c:18](-[c:19]2[cH:20][cH:21][c:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32]3)[cH:33][cH:34]2)[cH:35]1
|
([c:4]-[O;H0;D2;+0:3]-[CH2;D2;+0:1]-[c:2])>>(Br-[CH2;D2;+0:1]-[c:2]).([OH;D1;+0:3]-[c:4])
|
461509c97939d6bb7d33fa525a38ed8d1f68b96cbf191aaea94397d2
| 1 | 1 |
CC(C)=O.O=C([O-])[O-].[K+].[K+]
| 127 |
205,335 | 697,392 | 1,148,799 |
[Si]([O:8][CH:9]1[C:30]2[C:25](=[CH:26][CH:27]=[C:28]([C:31]3[NH:35][C:34](=[O:36])[O:33][N:32]=3)[CH:29]=2)[O:24][C:11]2([CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13][CH2:12]2)[CH2:10]1)(C(C)(C)C)(C)C.C([O-])(O)=O.[Na+]>CCO.C1COCC1>[OH:8][CH:9]1[C:30]2[C:25](=[CH:26][CH:27]=[C:28]([C:31]3[NH:35][C:34](=[O:36])[O:33][N:32]=3)[CH:29]=2)[O:24][C:11]2([CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13][CH2:12]2)[CH2:10]1
|
|f:1.2,3.4|
|
US08093389B2_0504
| 2,012 |
C1CCOC1.CC(C)(C)[Si](C)(C)[O:16][CH:15]1[CH2:14][C:11]2([CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:13][CH2:12]2)[O:29][c:28]2[c:17]1[cH:18][c:19](-[c:20]1[n:21][o:22][c:23](=[O:24])[nH:25]1)[cH:26][cH:27]2.CCO.O=C([O-])O.[Na+]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]1)[CH2:14][CH:15]([OH:16])[c:17]1[cH:18][c:19](-[c:20]3[n:21][o:22][c:23](=[O:24])[nH:25]3)[cH:26][cH:27][c:28]1[O:29]2
| 0.411056 |
C1CCOC1~CCO.CC(C)(C)OC(=O)N1CCC2(CC1)CC(O[Si](C)(C)C(C)(C)C)c1cc(-c3noc(=O)[nH]3)ccc1O2.O=C([O-])O~[Na+]>>CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1cc(-c3noc(=O)[nH]3)ccc1O2
|
C1CCOC1.CC(C)(C)OC(=O)N1CCC2(CC1)CC(O[Si](C)(C)C(C)(C)C)c1cc(-c3noc(=O)[nH]3)ccc1O2.CCO.O=C([O-])O.[Na+]>>CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)c1cc(-c3noc(=O)[nH]3)ccc1O2
|
US08093389B2_0504grants
|
684443388e2872af451db42379354cfddb48f5fd5ed998a4901a1754
|
C1CCOC1.CC(C)(C)[Si](C)(C)[O:16][CH:15]1[CH2:14][C:11]2([CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:13][CH2:12]2)[O:29][c:28]2[c:17]1[cH:18][c:19](-[c:20]1[n:21][o:22][c:23](=[O:24])[nH:25]1)[cH:26][cH:27]2.CCO.O=C([O-])O.[Na+]
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]1)[CH2:14][CH:15]([OH:16])[c:17]1[cH:18][c:19](-[c:20]3[n:21][o:22][c:23](=[O:24])[nH:25]3)[cH:26][cH:27][c:28]1[O:29]2
|
([C:2]-[OH;D1;+0:1])>>(C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:1]-[C:2])
|
368b3f927702b41932c1075690d6eeba50254e115711ea09825c0c9c
| 1 | 1 |
C1CCOC1.CCO.O=C([O-])O.[Na+]
| 708 |
95,264 | 370,821 | 632,915 |
C(N(C(C)C)C(C)C)C.[C:10]([O:14][C:15]([NH:17][CH2:18][C:19]1[CH:24]=[CH:23][C:22]([CH2:25][CH2:26][C:27]([OH:29])=O)=[CH:21][CH:20]=1)=[O:16])([CH3:13])([CH3:12])[CH3:11].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH2:54]([O:61][C:62]([N:64]1[CH2:69][CH2:68][NH:67][CH2:66][CH2:65]1)=[O:63])[C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1>CN(C=O)C.C(OCC)(=O)C.O>[CH2:54]([O:61][C:62]([N:64]1[CH2:69][CH2:68][N:67]([C:27](=[O:29])[CH2:26][CH2:25][C:22]2[CH:21]=[CH:20][C:19]([CH2:18][NH:17][C:15]([O:14][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:16])=[CH:24][CH:23]=2)[CH2:66][CH2:65]1)=[O:63])[C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1
|
|f:2.3|
|
US06673786B1_
| 2,004 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:16]([CH2:15][CH2:14][c:13]1[cH:12][cH:11][c:10]([CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[cH:35][cH:34]1)=[O:17].[NH:18]1[CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:32][CH2:33]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][CH2:15][C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:32][CH2:33]2)[cH:34][cH:35]1
| 0.367651 |
CC(C)(C)OC(=O)NCc1ccc(CCC(=O)O)cc1.CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O.O=C(OCc1ccccc1)N1CCNCC1>>CC(C)(C)OC(=O)NCc1ccc(CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1
|
CC(C)(C)OC(=O)NCc1ccc(CCC(=O)O)cc1.CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O=C(OCc1ccccc1)N1CCNCC1>>CC(C)(C)OC(=O)NCc1ccc(CCC(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1
|
US06673786B1_grants
|
c7be97a5dbff41fe0bf984dad7d3a0aca773c79d5534a5e7345aa97f
|
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:16]([CH2:15][CH2:14][c:13]1[cH:12][cH:11][c:10]([CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[cH:35][cH:34]1)=[O:17].[NH:18]1[CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:32][CH2:33]1
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([CH2:14][CH2:15][C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:32][CH2:33]2)[cH:34][cH:35]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
0f35e4698af78868189072042f755bea621b23e196ec3dd2372ca253
| 1 | 1 |
CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O
| 146 |
300,953 | 979,727 | 1,650,816 |
[C:1]([C:4]1[C:5]([O:18][CH3:19])=[C:6]([N:12]2[CH2:16][CH2:15][CH2:14][C:13]2=[O:17])[C:7]([CH3:11])=[C:8]([Cl:10])[CH:9]=1)(=O)[CH3:2].C([O-])(=O)C.[NH4+].C([BH3-])#[N:26].[Na+]>CO.C(#N)C>[NH2:26][CH:1]([C:4]1[C:5]([O:18][CH3:19])=[C:6]([N:12]2[CH2:16][CH2:15][CH2:14][C:13]2=[O:17])[C:7]([CH3:11])=[C:8]([Cl:10])[CH:9]=1)[CH3:2]
|
|f:1.2,3.4|
|
US09096600B2_0660
| 2,015 |
CC#N.CC(=O)[O-].CO.O=[C:5]([c:4]1[c:3]([O:2][CH3:1])[c:13]([N:14]2[CH2:15][CH2:16][CH2:17][C:18]2=[O:19])[c:11]([CH3:12])[c:9]([Cl:10])[cH:8]1)[CH3:6].[BH3-]C#N.[NH4+:7].[Na+]>>[CH3:1][O:2][c:3]1[c:4]([CH:5]([CH3:6])[NH2:7])[cH:8][c:9]([Cl:10])[c:11]([CH3:12])[c:13]1[N:14]1[CH2:15][CH2:16][CH2:17][C:18]1=[O:19]
| 0.961145 |
CC#N.CC(=O)[O-]~[NH4+].CO.COc1c(C(C)=O)cc(Cl)c(C)c1N1CCCC1=O.[BH3-]C#N~[Na+]>>COc1c(C(C)N)cc(Cl)c(C)c1N1CCCC1=O
|
CC#N.CC(=O)[O-].CO.COc1c(C(C)=O)cc(Cl)c(C)c1N1CCCC1=O.[BH3-]C#N.[NH4+].[Na+]>>COc1c(C(C)N)cc(Cl)c(C)c1N1CCCC1=O
|
US09096600B2_0660grants
|
a338dfc720187ff4f9bab825d17d79a3cb2b6cac17960e835c6633bc
|
CC#N.CC(=O)[O-].CO.O=[C:5]([c:4]1[c:3]([O:2][CH3:1])[c:13]([N:14]2[CH2:15][CH2:16][CH2:17][C:18]2=[O:19])[c:11]([CH3:12])[c:9]([Cl:10])[cH:8]1)[CH3:6].[BH3-]C#N.[NH4+:7].[Na+]
|
[CH3:1][O:2][c:3]1[c:4]([CH:5]([CH3:6])[NH2:7])[cH:8][c:9]([Cl:10])[c:11]([CH3:12])[c:13]1[N:14]1[CH2:15][CH2:16][CH2:17][C:18]1=[O:19]
|
([C;D1;H3:2]-[CH;D3;+0:1](-[NH2;D1;+0:4])-[c:3])>>(O=[C;H0;D3;+0:1](-[C;D1;H3:2])-[c:3]).([NH4+;D0:4])
|
0420040a6a929c6045961aeeb7471d22b3eef907826f6fd835413246
| 1 | 1 |
CC#N.CC(=O)[O-].CO.[BH3-]C#N.[Na+]
| 552 |
217,493 | 731,665 | 1,205,246 |
[C:1]([C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][CH:7]=[CH:6]2)#[N:2].CN(C=O)C.Br[CH2:18][CH:19]1[CH2:21][CH2:20]1>>[CH:19]1([CH2:18][N:8]2[C:9]3[C:5](=[CH:4][C:3]([C:1]#[N:2])=[CH:11][CH:10]=3)[CH:6]=[CH:7]2)[CH2:21][CH2:20]1
| null |
US08207216B2_0347
| 2,012 |
Br[CH2:11][CH:12]1[CH2:13][CH2:14]1.CN(C)C=O.[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][cH:9][nH:10]2)[cH:15]1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][cH:9][n:10]2[CH2:11][CH:12]2[CH2:13][CH2:14]2)[cH:15]1
| 0.95836 |
BrCC1CC1.CN(C)C=O.N#Cc1ccc2[nH]ccc2c1>>N#Cc1ccc2c(ccn2CC2CC2)c1
|
BrCC1CC1.CN(C)C=O.N#Cc1ccc2[nH]ccc2c1>>N#Cc1ccc2c(ccn2CC2CC2)c1
|
US08207216B2_0347grants
|
172aef881a61ddccc1c514e1a928a57cac2b45d4b3debc83bc86e814
|
Br[CH2:11][CH:12]1[CH2:13][CH2:14]1.CN(C)C=O.[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][cH:9][nH:10]2)[cH:15]1
|
[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8][cH:9][n:10]2[CH2:11][CH:12]2[CH2:13][CH2:14]2)[cH:15]1
|
([C:2]-[CH2;D2;+0:1]-[n;H0;D3;+0:4](:[c:3]):[c:5])>>(Br-[CH2;D2;+0:1]-[C:2]).([c:3]:[nH;D2;+0:4]:[c:5])
|
c6627ae0205e42fad7135644013861f759f0b5a844b3cd07da25cdde
| 1 | 1 |
CN(C)C=O
| 470 |
100,481 | 386,525 | 660,643 |
C(OC([NH:8][C@@H:9]1[CH2:14][CH2:13][CH2:12][CH2:11][C@@H:10]1[NH:15][C:16]1[C:25]2[C:20](=[CH:21][CH:22]=[C:23]([O:26][CH3:27])[CH:24]=2)[N:19]=[C:18]([NH:28][C:29](=[O:37])[C:30]2[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][CH:31]=2)[N:17]=1)=O)(C)(C)C.FC(F)(F)C(O)=O.C(=O)([O-])O.[Na+]>C(Cl)Cl>[Cl:36][C:33]1[CH:32]=[CH:31][C:30]([C:29]([NH:28][C:18]2[N:17]=[C:16]([NH:15][C@H:10]3[CH2:11][CH2:12][CH2:13][CH2:14][C@H:9]3[NH2:8])[C:25]3[C:20](=[CH:21][CH:22]=[C:23]([O:26][CH3:27])[CH:24]=3)[N:19]=2)=[O:37])=[CH:35][CH:34]=1
|
|f:2.3|
|
US06794389B2_
| 2,004 |
CC(C)(C)OC(=O)[NH:28][C@H:27]1[C@@H:22]([NH:21][c:20]2[n:19][c:8]([NH:9][C:10](=[O:11])[c:12]3[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]3)[n:7][c:6]3[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:30][c:29]32)[CH2:23][CH2:24][CH2:25][CH2:26]1.ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([NH:9][C:10](=[O:11])[c:12]3[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]3)[n:19][c:20]([NH:21][C@H:22]3[CH2:23][CH2:24][CH2:25][CH2:26][C@H:27]3[NH2:28])[c:29]2[cH:30]1
| 0.894895 |
COc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c2c1.ClCCl.O=C(O)C(F)(F)F.O=C([O-])O~[Na+]>>COc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3N)c2c1
|
COc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)c2c1.ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>>COc1ccc2nc(NC(=O)c3ccc(Cl)cc3)nc(N[C@H]3CCCC[C@H]3N)c2c1
|
US06794389B2_grants
|
07ae49d5300cd9a54b97e3bcf469f4f26c66d5503f2d8a110d77e205
|
CC(C)(C)OC(=O)[NH:28][C@H:27]1[C@@H:22]([NH:21][c:20]2[n:19][c:8]([NH:9][C:10](=[O:11])[c:12]3[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]3)[n:7][c:6]3[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:30][c:29]32)[CH2:23][CH2:24][CH2:25][CH2:26]1.ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([NH:9][C:10](=[O:11])[c:12]3[cH:13][cH:14][c:15]([Cl:16])[cH:17][cH:18]3)[n:19][c:20]([NH:21][C@H:22]3[CH2:23][CH2:24][CH2:25][CH2:26][C@H:27]3[NH2:28])[c:29]2[cH:30]1
|
([C:2]-[NH2;D1;+0:1])>>(C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C:2])
|
6c83f45f485301792011c63e6835be21ece3be24f5b32a6e45acc5be
| 1 | 1 |
ClCCl.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]
| 538 |
63,455 | 266,716 | 452,062 |
[F:1][C:2]1[CH:3]=[C:4](B(O)O)[CH:5]=[C:6]([F:8])[CH:7]=1.I[C:13]1[CH:14]=[C:15]([CH:19]=[CH:20][CH:21]=1)[C:16]([OH:18])=[O:17].C(=O)([O-])[O-].[Na+].[Na+]>O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[F:1][C:2]1[CH:3]=[C:4]([C:13]2[CH:14]=[C:15]([CH:19]=[CH:20][CH:21]=2)[C:16]([OH:18])=[O:17])[CH:5]=[C:6]([F:8])[CH:7]=1
|
|f:2.3.4,6.7.8|
|
US05968985_
| 1,999 |
CC(=O)[O-].CC(=O)[O-].I[c:8]1[cH:7][cH:6][cH:5][c:4]([C:2](=[O:1])[OH:3])[cH:17]1.O.O=C([O-])[O-].OB(O)[c:9]1[cH:10][c:11]([F:12])[cH:13][c:14]([F:15])[cH:16]1.[Na+].[Na+].[Pd+2]>>[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][c:8](-[c:9]2[cH:10][c:11]([F:12])[cH:13][c:14]([F:15])[cH:16]2)[cH:17]1
| 0.826861 |
CC(=O)[O-]~CC(=O)[O-]~[Pd+2].O.O=C(O)c1cccc(I)c1.O=C([O-])[O-]~[Na+]~[Na+].OB(O)c1cc(F)cc(F)c1>>O=C(O)c1cccc(-c2cc(F)cc(F)c2)c1
|
CC(=O)[O-].CC(=O)[O-].O.O=C(O)c1cccc(I)c1.O=C([O-])[O-].OB(O)c1cc(F)cc(F)c1.[Na+].[Na+].[Pd+2]>>O=C(O)c1cccc(-c2cc(F)cc(F)c2)c1
|
US05968985_grants
|
466420781f7421fccb37fca218a058625449d2c4482ba246f22067f1
|
CC(=O)[O-].CC(=O)[O-].I[c:8]1[cH:7][cH:6][cH:5][c:4]([C:2](=[O:1])[OH:3])[cH:17]1.O.O=C([O-])[O-].OB(O)[c:9]1[cH:10][c:11]([F:12])[cH:13][c:14]([F:15])[cH:16]1.[Na+].[Na+].[Pd+2]
|
[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][c:8](-[c:9]2[cH:10][c:11]([F:12])[cH:13][c:14]([F:15])[cH:16]2)[cH:17]1
|
([c:5]:[c;H0;D3;+0:4](:[c:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(I-[c;H0;D3;+0:1](:[c:2]):[c:3]).(O-B(-O)-[c;H0;D3;+0:4](:[c:5]):[c:6])
|
7dd39e88343158d749428576676d52834a98797b3952df04cfe843cf
| 0.5 | 2 |
CC(=O)[O-].CC(=O)[O-].O.O=C([O-])[O-].[Na+].[Na+].[Pd+2]
| 855 |
109,970 | 414,656 | 707,571 |
[N:1]1([C:6]2[N:11]=[N:10][C:9]([O:12][CH:13]3[CH2:18][CH2:17][CH2:16][N:15](CC4C=CC=CC=4)[CH2:14]3)=[CH:8][CH:7]=2)[CH:5]=[CH:4][N:3]=[CH:2]1>CO.[Pd]>[N:1]1([C:6]2[N:11]=[N:10][C:9]([O:12][CH:13]3[CH2:18][CH2:17][CH2:16][NH:15][CH2:14]3)=[CH:8][CH:7]=2)[CH:5]=[CH:4][N:3]=[CH:2]1
| null |
US06982259B2_0324
| 2,006 |
CO.[Pd].c1ccc(C[N:13]2[CH2:12][CH2:11][CH2:10][CH:9]([O:8][c:7]3[cH:6][cH:5][c:4](-[n:3]4[cH:2][cH:1][n:18][cH:17]4)[n:16][n:15]3)[CH2:14]2)cc1>>[cH:1]1[cH:2][n:3](-[c:4]2[cH:5][cH:6][c:7]([O:8][CH:9]3[CH2:10][CH2:11][CH2:12][NH:13][CH2:14]3)[n:15][n:16]2)[cH:17][n:18]1
| 0.975388 |
CO.[Pd].c1ccc(CN2CCCC(Oc3ccc(-n4ccnc4)nn3)C2)cc1>>c1cn(-c2ccc(OC3CCCNC3)nn2)cn1
|
CO.[Pd].c1ccc(CN2CCCC(Oc3ccc(-n4ccnc4)nn3)C2)cc1>>c1cn(-c2ccc(OC3CCCNC3)nn2)cn1
|
US06982259B2_0324grants
|
6c0958230e129affe25c30c0489eb87ce01a6297779c693b5c72890d
|
CO.[Pd].c1ccc(C[N:13]2[CH2:12][CH2:11][CH2:10][CH:9]([O:8][c:7]3[cH:6][cH:5][c:4](-[n:3]4[cH:2][cH:1][n:18][cH:17]4)[n:16][n:15]3)[CH2:14]2)cc1
|
[cH:1]1[cH:2][n:3](-[c:4]2[cH:5][cH:6][c:7]([O:8][CH:9]3[CH2:10][CH2:11][CH2:12][NH:13][CH2:14]3)[n:15][n:16]2)[cH:17][n:18]1
|
([C:1]-[NH;D2;+0:2]-[C:3])>>([C:1]-[N;H0;D3;+0:2](-[C:3])-C-c1:c:c:c:c:c:1)
|
f58207c6c64a5b48e40756ac3ba50fe69cdf9b1d18b6063ebd95ff15
| 1 | 1 |
CO.[Pd]
| 84 |
159,242 | 564,633 | 941,695 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:16][C:17]2[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][C:25]=3[O:27][CH2:28][CH2:29]O)[N:20]=[CH:19][N:18]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=1.S(Cl)([Cl:33])=O>C(Cl)Cl.C1COCC1>[Cl:33][CH2:29][CH2:28][O:27][C:25]1[CH:24]=[CH:23][CH:22]=[C:21]2[C:26]=1[C:17]([NH:16][C:4]1[CH:5]=[CH:6][C:7]([O:8][CH2:9][C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=3)=[C:2]([Cl:1])[CH:3]=1)=[N:18][CH:19]=[N:20]2
| null |
US07625908B2_1562
| 2,009 |
C1CCOC1.ClCCl.O=S(Cl)[Cl:1].O[CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:14][c:15]3[cH:16][cH:17][c:18]([O:19][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][n:26]4)[c:27]([Cl:28])[cH:29]3)[c:30]12>>[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:14][c:15]3[cH:16][cH:17][c:18]([O:19][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][n:26]4)[c:27]([Cl:28])[cH:29]3)[c:30]12
| 0.410911 |
C1CCOC1.ClCCl.O=S(Cl)Cl.OCCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12>>ClCCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
|
C1CCOC1.ClCCl.O=S(Cl)Cl.OCCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12>>ClCCOc1cccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12
|
US07625908B2_1562grants
|
6bdec3b99c3e7761f9120363aca8f865946c7fe684e74059f9835e23
|
C1CCOC1.ClCCl.O=S(Cl)[Cl:1].O[CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:14][c:15]3[cH:16][cH:17][c:18]([O:19][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][n:26]4)[c:27]([Cl:28])[cH:29]3)[c:30]12
|
[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][c:9]2[n:10][cH:11][n:12][c:13]([NH:14][c:15]3[cH:16][cH:17][c:18]([O:19][CH2:20][c:21]4[cH:22][cH:23][cH:24][cH:25][n:26]4)[c:27]([Cl:28])[cH:29]3)[c:30]12
|
([C:3]-[CH2;D2;+0:2]-[Cl;H0;D1;+0:1])>>(Cl-S(=O)-[Cl;H0;D1;+0:1]).(O-[CH2;D2;+0:2]-[C:3])
|
4b7b1e2a1a99f19df607b2b2df0dc0b449217db0be3b56b070b5dca8
| 1 | 1 |
C1CCOC1.ClCCl
| 96 |
164,943 | 580,792 | 966,437 |
[OH:1][CH2:2][CH2:3][CH2:4][C:5]1[CH:6]=[C:7]([CH:11]=[C:12]([O:16][CH3:17])[C:13]=1[O:14][CH3:15])[C:8]([OH:10])=[O:9].[CH3:18]I>>[CH3:17][O:16][C:12]1[CH:11]=[C:7]([CH:6]=[C:5]([CH2:4][CH2:3][CH2:2][O:1][CH3:18])[C:13]=1[O:14][CH3:15])[C:8]([OH:10])=[O:9]
| null |
US07691843B2_0642
| 2,010 |
I[CH3:1].[OH:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([O:14][CH3:15])[c:16]1[O:17][CH3:18]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([O:14][CH3:15])[c:16]1[O:17][CH3:18]
| 0.946215 |
CI.COc1cc(C(=O)O)cc(CCCO)c1OC>>COCCCc1cc(C(=O)O)cc(OC)c1OC
|
CI.COc1cc(C(=O)O)cc(CCCO)c1OC>>COCCCc1cc(C(=O)O)cc(OC)c1OC
|
US07691843B2_0642grants
|
abccc4525b5363ce218688db697e65596a0e3853d737378cf39fe6ba
|
I[CH3:1].[OH:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([O:14][CH3:15])[c:16]1[O:17][CH3:18]
|
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([O:14][CH3:15])[c:16]1[O:17][CH3:18]
|
([C:2]-[O;H0;D2;+0:3]-[CH3;D1;+0:1])>>(I-[CH3;D1;+0:1]).([C:2]-[OH;D1;+0:3])
|
3f112fb289bac1f05b1a74f7afd73d0dad9ae0e80c6f59107df8cdb1
| 1 | 1 | null | 140 |
437,460 | 1,891,168 | null |
[OH:1][CH2:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=O)=[CH:5][C:4]=1[C:12]([F:15])([F:14])[F:13].[NH2:16][C@H:17]1[C@H:22]2[C@@H:18]1[O:19][C:20]1[CH:26]=[CH:25][C:24]([O:27][C:28]3[CH:37]=[CH:36][N:35]=[C:34]4[C:29]=3[CH2:30][CH2:31][C:32](=[O:38])[NH:33]4)=[CH:23][C:21]=12.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C.O>[OH:1][CH2:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([NH:16][C@H:17]2[C@H:22]3[C@@H:18]2[O:19][C:20]2[CH:26]=[CH:25][C:24]([O:27][C:28]4[C:29]5[CH2:30][CH2:31][C:32](=[O:38])[NH:33][C:34]=5[N:35]=[CH:36][CH:37]=4)=[CH:23][C:21]=23)=[O:9])=[CH:5][C:4]=1[C:12]([F:15])([F:14])[F:13]
|
|f:2.3|
|
US20160159820A1_0755
| 2,016 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:17](=[O:18])[c:19]1[cH:20][cH:21][c:22]([CH2:23][OH:24])[c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]1.[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([O:7][c:8]3[cH:9][cH:10][c:11]4[c:12]([cH:13]3)[C@H:14]3[C@H:15]([NH2:16])[C@H:31]3[O:32]4)[cH:33][cH:34][n:35][c:36]2[NH:37]1>>[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([O:7][c:8]3[cH:9][cH:10][c:11]4[c:12]([cH:13]3)[C@H:14]3[C@H:15]([NH:16][C:17](=[O:18])[c:19]5[cH:20][cH:21][c:22]([CH2:23][OH:24])[c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]5)[C@H:31]3[O:32]4)[cH:33][cH:34][n:35][c:36]2[NH:37]1
| 0.271829 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.N[C@H]1[C@@H]2c3cc(Oc4ccnc5c4CCC(=O)N5)ccc3O[C@@H]21.O.O=C(O)c1ccc(CO)c(C(F)(F)F)c1>>O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](NC(=O)c5ccc(CO)c(C(F)(F)F)c5)[C@H]3O4)ccnc2N1
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.N[C@H]1[C@@H]2c3cc(Oc4ccnc5c4CCC(=O)N5)ccc3O[C@@H]21.O.O=C(O)c1ccc(CO)c(C(F)(F)F)c1>>O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@H](NC(=O)c5ccc(CO)c(C(F)(F)F)c5)[C@H]3O4)ccnc2N1
|
US20160159820A1_0755apps
|
aa8d7a1b057e5ccf229304a09dd8d65b605aa44d3b21807a79a01de0
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:17](=[O:18])[c:19]1[cH:20][cH:21][c:22]([CH2:23][OH:24])[c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]1.[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([O:7][c:8]3[cH:9][cH:10][c:11]4[c:12]([cH:13]3)[C@H:14]3[C@H:15]([NH2:16])[C@H:31]3[O:32]4)[cH:33][cH:34][n:35][c:36]2[NH:37]1
|
[O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([O:7][c:8]3[cH:9][cH:10][c:11]4[c:12]([cH:13]3)[C@H:14]3[C@H:15]([NH:16][C:17](=[O:18])[c:19]5[cH:20][cH:21][c:22]([CH2:23][OH:24])[c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]5)[C@H:31]3[O:32]4)[cH:33][cH:34][n:35][c:36]2[NH:37]1
|
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH2;D1;+0:5])
|
4b62c30a3b92b9941a5ddfdb3fbb597241af09409f8fb78aee5317d4
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O
| 334 |
346,262 | 412,171 | null |
[C:1](O)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:10][CH2:11][CH2:12][CH:13]([C:21]1[CH:30]=[CH:29][C:24]([C:25]([NH:27][CH3:28])=[O:26])=[CH:23][CH:22]=1)[C:14]1[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=1.C1C=CC2N(O)N=NC=2C=1.C(Cl)CCl.C(N(C(C)C)CC)(C)C>CN(C=O)C.O>[C:1]([NH:10][CH2:11][CH2:12][CH:13]([C:21]1[CH:30]=[CH:29][C:24]([C:25]([NH:27][CH3:28])=[O:26])=[CH:23][CH:22]=1)[C:14]1[CH:15]=[CH:16][C:17]([F:20])=[CH:18][CH:19]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
| null |
US20060276515A1_0353
| 2,006 |
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O.O[C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.On1nnc2ccccc21.[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]([CH2:10][CH2:11][NH2:12])[c:21]2[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]2)[cH:28][cH:29]1>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]([CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]2)[cH:28][cH:29]1
| 0.838969 |
CCN(C(C)C)C(C)C.CN(C)C=O.CNC(=O)c1ccc(C(CCN)c2ccc(F)cc2)cc1.ClCCCl.O.O=C(O)c1ccccc1.On1nnc2ccccc21>>CNC(=O)c1ccc(C(CCNC(=O)c2ccccc2)c2ccc(F)cc2)cc1
|
CCN(C(C)C)C(C)C.CN(C)C=O.CNC(=O)c1ccc(C(CCN)c2ccc(F)cc2)cc1.ClCCCl.O.O=C(O)c1ccccc1.On1nnc2ccccc21>>CNC(=O)c1ccc(C(CCNC(=O)c2ccccc2)c2ccc(F)cc2)cc1
|
US20060276515A1_0353apps
|
63b7d860b2b0dd39883090a58e04877a88895a8beacde9566b9c0064
|
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O.O[C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.On1nnc2ccccc21.[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]([CH2:10][CH2:11][NH2:12])[c:21]2[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]2)[cH:28][cH:29]1
|
[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH:9]([CH2:10][CH2:11][NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]2)[cH:28][cH:29]1
|
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH2;D1;+0:5])
|
4b62c30a3b92b9941a5ddfdb3fbb597241af09409f8fb78aee5317d4
| 0.5 | 2 |
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.O.On1nnc2ccccc21
| 334 |
378,649 | 907,593 | null |
[Cl:1][C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14][CH3:15])[CH:9]=2)=[C:6]([C:16]([OH:34])([CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[CH2:17][CH2:18][N:19](C)[C:20](=O)OC(C)(C)C)[CH:5]=[CH:4][CH:3]=1.Cl>>[Cl:1][C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH2:14][CH3:15])[CH:9]=2)=[C:6]([C:16]([OH:34])([CH2:28][CH2:29][CH2:30][CH2:31][O:32][CH3:33])[CH2:17][CH2:18][NH:19][CH3:20])[CH:5]=[CH:4][CH:3]=1
| null |
US20100168243A1_0295
| 2,010 |
CC(C)(C)OC(=O)[N:25]([CH2:24][CH2:23][C:15]([c:14]1[c:8](-[c:7]2[cH:6][cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:27]2)[c:9]([Cl:10])[cH:11][cH:12][cH:13]1)([OH:16])[CH2:17][CH2:18][CH2:19][CH2:20][O:21][CH3:22])[CH3:26].Cl>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[c:9]([Cl:10])[cH:11][cH:12][cH:13][c:14]2[C:15]([OH:16])([CH2:17][CH2:18][CH2:19][CH2:20][O:21][CH3:22])[CH2:23][CH2:24][NH:25][CH3:26])[cH:27]1
| 0.976948 |
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCCOC)CCN(C)C(=O)OC(C)(C)C)c1.Cl>>CCc1cccc(-c2c(Cl)cccc2C(O)(CCCCOC)CCNC)c1
|
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCCOC)CCN(C)C(=O)OC(C)(C)C)c1.Cl>>CCc1cccc(-c2c(Cl)cccc2C(O)(CCCCOC)CCNC)c1
|
US20100168243A1_0295apps
|
a87b47f64b4f1ed67edad3974c9fd3d73e985b63d446ff31fb60305a
|
CC(C)(C)OC(=O)[N:25]([CH2:24][CH2:23][C:15]([c:14]1[c:8](-[c:7]2[cH:6][cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:27]2)[c:9]([Cl:10])[cH:11][cH:12][cH:13]1)([OH:16])[CH2:17][CH2:18][CH2:19][CH2:20][O:21][CH3:22])[CH3:26].Cl
|
[CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[c:9]([Cl:10])[cH:11][cH:12][cH:13][c:14]2[C:15]([OH:16])([CH2:17][CH2:18][CH2:19][CH2:20][O:21][CH3:22])[CH2:23][CH2:24][NH:25][CH3:26])[cH:27]1
|
([C:2]-[NH;D2;+0:1]-[C;D1;H3:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C;D1;H3:3])
|
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
| 1 | 1 |
Cl
| 575 |
101,185 | 388,692 | 664,370 |
C([O:3][C:4](=O)[CH2:5][CH2:6][C:7]1[N:8]=[C:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[S:10][CH:11]=1)C.[H-].[Al+3].[Li+].[H-].[H-].[H-]>>[C:12]1([C:9]2[S:10][CH:11]=[C:7]([CH2:6][CH2:5][CH2:4][OH:3])[N:8]=2)[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1
|
|f:1.2.3.4.5.6|
|
US06809110B2_
| 2,004 |
CCO[C:2](=[O:1])[CH2:3][CH2:4][c:5]1[cH:6][s:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>[OH:1][CH2:2][CH2:3][CH2:4][c:5]1[cH:6][s:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1
| 0.927512 |
CCOC(=O)CCc1csc(-c2ccccc2)n1.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>OCCCc1csc(-c2ccccc2)n1
|
CCOC(=O)CCc1csc(-c2ccccc2)n1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>OCCCc1csc(-c2ccccc2)n1
|
US06809110B2_grants
|
1254399ab334526aff57ebd9836a097e92c3da36f9dcd5685e0cd67c
|
CCO[C:2](=[O:1])[CH2:3][CH2:4][c:5]1[cH:6][s:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1.[Al+3].[H-].[H-].[H-].[H-].[Li+]
|
[OH:1][CH2:2][CH2:3][CH2:4][c:5]1[cH:6][s:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1
|
([C:2]-[CH2;D2;+0:1]-[OH;D1;+0:3])>>(C-C-O-[C;H0;D3;+0:1](-[C:2])=[O;H0;D1;+0:3])
|
a6631af41b21b01ef30bc6f050ba77f4649f41c184ba7ddaa745a395
| 1 | 1 |
[Al+3].[H-].[H-].[H-].[H-].[Li+]
| 225 |
358,777 | 603,676 | null |
Cl.[NH2:2][C:3]1[CH:4]=[C:5]([NH:10][C:11](=[O:22])[C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[CH:13]=2)[CH:6]=[CH:7][C:8]=1[CH3:9].[CH3:23][C:24]1[C:33]([CH3:34])=[N:32][C:31]2[C:26](=[CH:27][CH:28]=[C:29]([C:35](O)=[O:36])[CH:30]=2)[N:25]=1.C(N(C(C)C)CC)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH3:23][C:24]1[C:33]([CH3:34])=[N:32][C:31]2[C:26](=[CH:27][CH:28]=[C:29]([C:35]([NH:2][C:3]3[CH:4]=[C:5]([NH:10][C:11](=[O:22])[C:12]4[CH:17]=[CH:16][CH:15]=[C:14]([C:18]([F:19])([F:20])[F:21])[CH:13]=4)[CH:6]=[CH:7][C:8]=3[CH3:9])=[O:36])[CH:30]=2)[N:25]=1
|
|f:0.1,4.5|
|
US20080207616A1_0231
| 2,008 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O[C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]2[n:28][c:29]([CH3:30])[c:31]([CH3:32])[n:33][c:34]2[cH:35]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][c:20]1[NH2:21]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][c:20]1[NH:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]2[n:28][c:29]([CH3:30])[c:31]([CH3:32])[n:33][c:34]2[cH:35]1
| 0.176757 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N~Cl.Cc1nc2ccc(C(=O)O)cc2nc1C>>Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N.Cc1nc2ccc(C(=O)O)cc2nc1C.Cl.F[P-](F)(F)(F)(F)F>>Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1
|
US20080207616A1_0231apps
|
f827be8fad30d6a481b5bfd900b009f84edad62c2975ed11c0188c5f
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O[C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]2[n:28][c:29]([CH3:30])[c:31]([CH3:32])[n:33][c:34]2[cH:35]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][c:20]1[NH2:21]
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][c:20]1[NH:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]2[n:28][c:29]([CH3:30])[c:31]([CH3:32])[n:33][c:34]2[cH:35]1
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[c:5])
|
35b8cb0d38b7801143c15d7c216f0b66c154f00ac243d1252d6d0e55
| 0.5 | 2 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F
| 50 |
147,098 | 526,927 | 882,943 |
[C:1](=[O:16])([O:14][CH3:15])[O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([CH3:12])([CH3:11])[CH3:10])=[CH:5][C:4]=1[Cl:13].[N+:17]([O-])([O-:19])=[O:18].[K+]>OS(O)(=O)=O>[C:1](=[O:16])([O:14][CH3:15])[O:2][C:3]1[CH:8]=[C:7]([N+:17]([O-:19])=[O:18])[C:6]([C:9]([CH3:11])([CH3:12])[CH3:10])=[CH:5][C:4]=1[Cl:13]
|
|f:1.2|
|
US07495103B2_0652
| 2,009 |
O=S(=O)(O)O.O=[N+:9]([O-:10])[O-:11].[CH3:1][O:2][C:3](=[O:4])[O:5][c:6]1[cH:7][cH:8][c:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][c:18]1[Cl:19].[K+]>>[CH3:1][O:2][C:3](=[O:4])[O:5][c:6]1[cH:7][c:8]([N+:9](=[O:10])[O-:11])[c:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][c:18]1[Cl:19]
| 0.159384 |
COC(=O)Oc1ccc(C(C)(C)C)cc1Cl.O=S(=O)(O)O.O=[N+]([O-])[O-]~[K+]>>COC(=O)Oc1cc([N+](=O)[O-])c(C(C)(C)C)cc1Cl
|
COC(=O)Oc1ccc(C(C)(C)C)cc1Cl.O=S(=O)(O)O.O=[N+]([O-])[O-].[K+]>>COC(=O)Oc1cc([N+](=O)[O-])c(C(C)(C)C)cc1Cl
|
US07495103B2_0652grants
|
59c6dcc396dc07039065c3f1f6cf8ac294685e574c187282c8e5d892
|
O=S(=O)(O)O.O=[N+:9]([O-:10])[O-:11].[CH3:1][O:2][C:3](=[O:4])[O:5][c:6]1[cH:7][cH:8][c:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][c:18]1[Cl:19].[K+]
|
[CH3:1][O:2][C:3](=[O:4])[O:5][c:6]1[cH:7][c:8]([N+:9](=[O:10])[O-:11])[c:12]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:17][c:18]1[Cl:19]
|
([O;-;D1;H0:3]-[N+;H0;D3:1](=[O;H0;D1;+0:2])-[c;H0;D3;+0:5](:[c:4]):[c:6])>>(O=[N+;H0;D3:1](-[O-;H0;D1:2])-[O;-;D1;H0:3]).([c:4]:[cH;D2;+0:5]:[c:6])
|
c25d51e5af868cef93abbb502e1d42ba1564ccc8abe5e0e442b85ea3
| 1 | 1 |
O=S(=O)(O)O.[K+]
| 21 |
413,846 | 1,691,909 | null |
Cl.[NH2:2][CH2:3][C:4]1[CH:5]=[CH:6][C:7]([C:10]([O:12][CH3:13])=[O:11])=[N:8][CH:9]=1.[F:14][C:15]1[CH:20]=[CH:19][C:18]([S:21](Cl)(=[O:23])=[O:22])=[CH:17][CH:16]=1.C(N(CC)CC)C>ClCCl.O>[F:14][C:15]1[CH:20]=[CH:19][C:18]([S:21]([NH:2][CH2:3][C:4]2[CH:5]=[CH:6][C:7]([C:10]([O:12][CH3:13])=[O:11])=[N:8][CH:9]=2)(=[O:23])=[O:22])=[CH:17][CH:16]=1
|
|f:0.1|
|
US20150141433A1_0348
| 2,015 |
CCN(CC)CC.Cl.ClCCl.Cl[S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1.O.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:21][n:22]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]2)[cH:21][n:22]1
| 0.718126 |
CCN(CC)CC.COC(=O)c1ccc(CN)cn1~Cl.ClCCl.O.O=S(=O)(Cl)c1ccc(F)cc1>>COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cn1
|
CCN(CC)CC.COC(=O)c1ccc(CN)cn1.Cl.ClCCl.O.O=S(=O)(Cl)c1ccc(F)cc1>>COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cn1
|
US20150141433A1_0348apps
|
02119cb3363ea1415f06403becd28612bf2b3cfa725c6f4198115ce6
|
CCN(CC)CC.Cl.ClCCl.Cl[S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1.O.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:21][n:22]1
|
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]2)[cH:21][n:22]1
|
([C:5]-[NH;D2;+0:6]-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[c:4])>>(Cl-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[c:4]).([C:5]-[NH2;D1;+0:6])
|
39c3f693e065fda9f5882e30404d820313d65e719c7613e0b2e1faa1
| 1 | 1 |
CCN(CC)CC.Cl.ClCCl.O
| 43 |
113,052 | 424,832 | 724,338 |
C(OC([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[CH:19]=[C:18]([NH:20][C:21]3[CH:30]=[C:29]4[C:24]([CH:25]=[CH:26][CH:27]=[N:28]4)=[CH:23][CH:22]=3)[N:17]=[CH:16][N:15]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[N:28]1[C:29]2[C:24](=[CH:23][CH:22]=[C:21]([NH:20][C:18]3[CH:19]=[C:14]([C:11]4[CH2:12][CH2:13][NH:8][CH2:9][CH:10]=4)[N:15]=[CH:16][N:17]=3)[CH:30]=2)[CH:25]=[CH:26][CH:27]=1
| null |
US07053088B2_0480
| 2,006 |
CC(C)(C)OC(=O)[N:22]1[CH2:21][CH2:20][C:2]([c:3]2[cH:4][c:5]([NH:6][c:7]3[cH:8][cH:9][c:10]4[cH:11][cH:12][cH:13][n:14][c:15]4[cH:16]3)[n:17][cH:18][n:19]2)=[CH:1][CH2:23]1.ClCCl.O=C(O)C(F)(F)F>>[CH:1]1=[C:2]([c:3]2[cH:4][c:5]([NH:6][c:7]3[cH:8][cH:9][c:10]4[cH:11][cH:12][cH:13][n:14][c:15]4[cH:16]3)[n:17][cH:18][n:19]2)[CH2:20][CH2:21][NH:22][CH2:23]1
| 0.864939 |
CC(C)(C)OC(=O)N1CC=C(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1.ClCCl.O=C(O)C(F)(F)F>>C1=C(c2cc(Nc3ccc4cccnc4c3)ncn2)CCNC1
|
CC(C)(C)OC(=O)N1CC=C(c2cc(Nc3ccc4cccnc4c3)ncn2)CC1.ClCCl.O=C(O)C(F)(F)F>>C1=C(c2cc(Nc3ccc4cccnc4c3)ncn2)CCNC1
|
US07053088B2_0480grants
|
8b668a1c71bf8a07dcf5775d827b8d4b55e28366b0b9c2416311fcc9
|
CC(C)(C)OC(=O)[N:22]1[CH2:21][CH2:20][C:2]([c:3]2[cH:4][c:5]([NH:6][c:7]3[cH:8][cH:9][c:10]4[cH:11][cH:12][cH:13][n:14][c:15]4[cH:16]3)[n:17][cH:18][n:19]2)=[CH:1][CH2:23]1.ClCCl.O=C(O)C(F)(F)F
|
[CH:1]1=[C:2]([c:3]2[cH:4][c:5]([NH:6][c:7]3[cH:8][cH:9][c:10]4[cH:11][cH:12][cH:13][n:14][c:15]4[cH:16]3)[n:17][cH:18][n:19]2)[CH2:20][CH2:21][NH:22][CH2:23]1
|
([C:2]-[NH;D2;+0:1]-[C:3]-[C:4]=[C:5])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3]-[C:4]=[C:5])
|
7138a61409cd3d87bff9ab3b2cf722d6a91c1cf3d022dc68894a7a8a
| 1 | 1 |
ClCCl.O=C(O)C(F)(F)F
| 800 |
357,828 | 593,927 | null |
Cl.[CH2:2]([C:4]1[S:24][C:7]2[N:8]=[C:9]([S:18][CH2:19][C:20]([O:22][CH3:23])=[O:21])[N:10]=[C:11]([N:12]3[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]3)[C:6]=2[CH:5]=1)[CH3:3].C(N(C(C)C)CC)(C)C.[CH3:34][N:35]([CH3:48])[C:36]1[N:41]=[C:40]([N:42]([CH3:44])[CH3:43])[CH:39]=[C:38]([C:45](O)=[O:46])[N:37]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH3:34][N:35]([CH3:48])[C:36]1[N:37]=[C:38]([C:45]([N:15]2[CH2:16][CH2:17][N:12]([C:11]3[C:6]4[CH:5]=[C:4]([CH2:2][CH3:3])[S:24][C:7]=4[N:8]=[C:9]([S:18][CH2:19][C:20]([O:22][CH3:23])=[O:21])[N:10]=3)[CH2:13][CH2:14]2)=[O:46])[CH:39]=[C:40]([N:42]([CH3:44])[CH3:43])[N:41]=1
|
|f:0.1,4.5|
|
US20080176857A1_0550
| 2,008 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O[C:11](=[O:12])[c:13]1[cH:14][c:15]([N:16]([CH3:17])[CH3:18])[n:19][c:20]([N:21]([CH3:22])[CH3:23])[n:24]1.[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([N:7]3[CH2:8][CH2:9][NH:10][CH2:25][CH2:26]3)[n:27][c:28]([S:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[n:35][c:36]2[s:37]1>>[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([N:7]3[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]4[cH:14][c:15]([N:16]([CH3:17])[CH3:18])[n:19][c:20]([N:21]([CH3:22])[CH3:23])[n:24]4)[CH2:25][CH2:26]3)[n:27][c:28]([S:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[n:35][c:36]2[s:37]1
| 0.352187 |
CCN(C(C)C)C(C)C.CCc1cc2c(N3CCNCC3)nc(SCC(=O)OC)nc2s1~Cl.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.CN(C)c1cc(C(=O)O)nc(N(C)C)n1>>CCc1cc2c(N3CCN(C(=O)c4cc(N(C)C)nc(N(C)C)n4)CC3)nc(SCC(=O)OC)nc2s1
|
CCN(C(C)C)C(C)C.CCc1cc2c(N3CCNCC3)nc(SCC(=O)OC)nc2s1.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.CN(C)c1cc(C(=O)O)nc(N(C)C)n1.Cl.F[P-](F)(F)(F)(F)F>>CCc1cc2c(N3CCN(C(=O)c4cc(N(C)C)nc(N(C)C)n4)CC3)nc(SCC(=O)OC)nc2s1
|
US20080176857A1_0550apps
|
53cfcbfcb82418eb073c9acb6cfa090b75e31fb98a7903c57c2983ad
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F.O[C:11](=[O:12])[c:13]1[cH:14][c:15]([N:16]([CH3:17])[CH3:18])[n:19][c:20]([N:21]([CH3:22])[CH3:23])[n:24]1.[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([N:7]3[CH2:8][CH2:9][NH:10][CH2:25][CH2:26]3)[n:27][c:28]([S:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[n:35][c:36]2[s:37]1
|
[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([N:7]3[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]4[cH:14][c:15]([N:16]([CH3:17])[CH3:18])[n:19][c:20]([N:21]([CH3:22])[CH3:23])[n:24]4)[CH2:25][CH2:26]3)[n:27][c:28]([S:29][CH2:30][C:31](=[O:32])[O:33][CH3:34])[n:35][c:36]2[s:37]1
|
([#7;a:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[N;H0;D3;+0:6](-[C:5])-[C:7])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#7;a:4]).([C:5]-[NH;D2;+0:6]-[C:7])
|
22b985b25d0742ff0ebd4a2011a23d0de4fbbe24f1e8e2b5cec283df
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.F[P-](F)(F)(F)(F)F
| 605 |
58,054 | 247,586 | 417,376 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[Cl:12][C:13]1[CH:28]=[C:27]([S:29][CH3:30])[CH:26]=[CH:25][C:14]=1[C:15]([C:17]1[CH:18]=[N:19][O:20][C:21]=1[CH:22]1[CH2:24][CH2:23]1)=[O:16].S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+]>ClCCl>[Cl:12][C:13]1[CH:28]=[C:27]([S:29]([CH3:30])=[O:9])[CH:26]=[CH:25][C:14]=1[C:15]([C:17]1[CH:18]=[N:19][O:20][C:21]=1[CH:22]1[CH2:24][CH2:23]1)=[O:16]
|
|f:2.3.4|
|
US05804532_
| 1,998 |
ClCCl.O=C(O[OH:3])c1cccc(Cl)c1.O=S([O-])S(=O)(=O)[O-].[CH3:1][S:2][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[c:10]2[cH:11][n:12][o:13][c:14]2[CH:15]2[CH2:16][CH2:17]2)[c:18]([Cl:19])[cH:20]1.[Na+].[Na+]>>[CH3:1][S:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[c:10]2[cH:11][n:12][o:13][c:14]2[CH:15]2[CH2:16][CH2:17]2)[c:18]([Cl:19])[cH:20]1
| 0.663403 |
CSc1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1.ClCCl.O=C(OO)c1cccc(Cl)c1.O=S([O-])S(=O)(=O)[O-]~[Na+]~[Na+]>>CS(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1
|
CSc1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1.ClCCl.O=C(OO)c1cccc(Cl)c1.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+]>>CS(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(Cl)c1
|
US05804532_grants
|
443f1a49271d4a86ce7013be93f0ebf26912d9c461be8d660c38b55e
|
ClCCl.O=C(O[OH:3])c1cccc(Cl)c1.O=S([O-])S(=O)(=O)[O-].[CH3:1][S:2][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[c:10]2[cH:11][n:12][o:13][c:14]2[CH:15]2[CH2:16][CH2:17]2)[c:18]([Cl:19])[cH:20]1.[Na+].[Na+]
|
[CH3:1][S:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[c:10]2[cH:11][n:12][o:13][c:14]2[CH:15]2[CH2:16][CH2:17]2)[c:18]([Cl:19])[cH:20]1
|
([C;D1;H3:2]-[S;H0;D3;+0:3](=[O;H0;D1;+0:1])-[c:4])>>(Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1).([C;D1;H3:2]-[S;H0;D2;+0:3]-[c:4])
|
3eca0f9955a304f24f0e70d3d79ae37309609db264458c56921bc8cd
| 1 | 1 |
ClCCl.O=S([O-])S(=O)(=O)[O-].[Na+].[Na+]
| 500 |
394,515 | 1,244,828 | null |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH:7]1([CH:13]([OH:16])[C:14]#[N:15])[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1>C1COCC1>[NH2:15][CH2:14][CH:13]([CH:7]1[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1)[OH:16]
|
|f:0.1.2.3.4.5|
|
US20120184542A1_1127
| 2,012 |
C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+].[N:1]#[C:2][CH:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1>>[NH2:1][CH2:2][CH:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1
| 0.930502 |
C1CCOC1.N#CC(O)C1CCCCC1.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>NCC(O)C1CCCCC1
|
C1CCOC1.N#CC(O)C1CCCCC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>NCC(O)C1CCCCC1
|
US20120184542A1_1127apps
|
19d0e427dea9da23f1470f74e216250591917f70da2792bbcdd241ea
|
C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+].[N:1]#[C:2][CH:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1
|
[NH2:1][CH2:2][CH:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1
|
([C:1]-[CH2;D2;+0:2]-[NH2;D1;+0:3])>>([C:1]-[C;H0;D2;+0:2]#[N;H0;D1;+0:3])
|
a6a560e6a4e37275ec6c4d64bf3e0ca249f135b1541102f34f75dc07
| 1 | 1 |
C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]
| 246 |
372,120 | 801,790 | null |
C[O:2][C:3]([C:5]1[CH:17]=[CH:16][C:15]2[C:14]3[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=3)[N:8]([CH2:18][CH2:19][CH2:20][O:21][CH3:22])[C:7]=2[CH:6]=1)=O.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1>[CH3:22][O:21][CH2:20][CH2:19][CH2:18][N:8]1[C:7]2[CH:6]=[C:5]([CH2:3][OH:2])[CH:17]=[CH:16][C:15]=2[C:14]2[C:9]1=[CH:10][CH:11]=[CH:12][CH:13]=2
|
|f:1.2.3.4.5.6|
|
US20090306062A1_0175
| 2,009 |
C1CCOC1.C[O:18][C:17](=O)[c:16]1[cH:15][cH:14][c:13]2[c:12]3[c:7]([n:6]([CH2:5][CH2:4][CH2:3][O:2][CH3:1])[c:20]2[cH:19]1)[cH:8][cH:9][cH:10][cH:11]3.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]2[cH:14][cH:15][c:16]([CH2:17][OH:18])[cH:19][c:20]12
| 0.593081 |
C1CCOC1.COCCCn1c2ccccc2c2ccc(C(=O)OC)cc21.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>COCCCn1c2ccccc2c2ccc(CO)cc21
|
C1CCOC1.COCCCn1c2ccccc2c2ccc(C(=O)OC)cc21.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>COCCCn1c2ccccc2c2ccc(CO)cc21
|
US20090306062A1_0175apps
|
54004d50ee5cd56d31bab79425de9431f7e22fa41086ae1d15f0134b
|
C1CCOC1.C[O:18][C:17](=O)[c:16]1[cH:15][cH:14][c:13]2[c:12]3[c:7]([n:6]([CH2:5][CH2:4][CH2:3][O:2][CH3:1])[c:20]2[cH:19]1)[cH:8][cH:9][cH:10][cH:11]3.[Al+3].[H-].[H-].[H-].[H-].[Li+]
|
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][n:6]1[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]2[c:13]2[cH:14][cH:15][c:16]([CH2:17][OH:18])[cH:19][c:20]12
|
([OH;D1;+0:1]-[CH2;D2;+0:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)>>(C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2](=O)-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)
|
9837206e9cbc012a1b67dbe24ef91db70782b4def0fddc7be5dd9197
| 1 | 1 |
C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]
| 444 |
419,291 | 1,750,968 | null |
[CH:1]1([C:4]2[C:5]([O:15][CH2:16][CH:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[CH:6][C:7]([F:14])=[C:8]([CH:13]=2)[C:9]([O:11][CH3:12])=[O:10])[CH2:3][CH2:2]1.Cl[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[CH:26]=1.[I-].[Na+].C(=O)([O-])[O-].[K+].[K+]>CC#N.CCOC(C)=O.[Cl-].[Na+].O>[F:31][C:27]1[CH:26]=[C:25]([CH:30]=[CH:29][CH:28]=1)[CH2:24][N:20]1[CH2:19][CH2:18][CH:17]([CH2:16][O:15][C:5]2[C:4]([CH:1]3[CH2:3][CH2:2]3)=[CH:13][C:8]([C:9]([O:11][CH3:12])=[O:10])=[C:7]([F:14])[CH:6]=2)[CH2:22][CH2:21]1
|
|f:2.3,4.5.6,9.10.11|
|
US20150252038A1_0651
| 2,015 |
CC#N.CCOC(C)=O.Cl[CH2:18][c:19]1[cH:20][cH:21][cH:22][c:23]([F:24])[cH:25]1.O.O=C([O-])[O-].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH:8]2[CH2:9][CH2:10]2)[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:26][CH2:27]2)[cH:28][c:29]1[F:30].[Cl-].[I-].[K+].[K+].[Na+].[Na+]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH:8]2[CH2:9][CH2:10]2)[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:18][c:19]3[cH:20][cH:21][cH:22][c:23]([F:24])[cH:25]3)[CH2:26][CH2:27]2)[cH:28][c:29]1[F:30]
| 0.9423 |
CC#N.CCOC(C)=O.COC(=O)c1cc(C2CC2)c(OCC2CCNCC2)cc1F.Fc1cccc(CCl)c1.O=C([O-])[O-]~[K+]~[K+].O~[Cl-]~[Na+].[I-]~[Na+]>>COC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cccc(F)c3)CC2)cc1F
|
CC#N.CCOC(C)=O.COC(=O)c1cc(C2CC2)c(OCC2CCNCC2)cc1F.Fc1cccc(CCl)c1.O.O=C([O-])[O-].[Cl-].[I-].[K+].[K+].[Na+].[Na+]>>COC(=O)c1cc(C2CC2)c(OCC2CCN(Cc3cccc(F)c3)CC2)cc1F
|
US20150252038A1_0651apps
|
dd3cd473211b7f0134fcf5947d0b8877e9dc760800fb555768dedf0b
|
CC#N.CCOC(C)=O.Cl[CH2:18][c:19]1[cH:20][cH:21][cH:22][c:23]([F:24])[cH:25]1.O.O=C([O-])[O-].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH:8]2[CH2:9][CH2:10]2)[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:26][CH2:27]2)[cH:28][c:29]1[F:30].[Cl-].[I-].[K+].[K+].[Na+].[Na+]
|
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH:8]2[CH2:9][CH2:10]2)[c:11]([O:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:18][c:19]3[cH:20][cH:21][cH:22][c:23]([F:24])[cH:25]3)[CH2:26][CH2:27]2)[cH:28][c:29]1[F:30]
|
([C:3]-[N;H0;D3;+0:4](-[C:5])-[CH2;D2;+0:1]-[c:2])>>(Cl-[CH2;D2;+0:1]-[c:2]).([C:3]-[NH;D2;+0:4]-[C:5])
|
6f8a7db848a9ef8856658f22091cd0a39a7c1e40ccd5dceed9896a48
| 1 | 1 |
CC#N.CCOC(C)=O.O.O=C([O-])[O-].[Cl-].[I-].[K+].[K+].[Na+].[Na+]
| 156 |
259,965 | 859,099 | 1,429,110 |
[CH:1]([NH:4][C:5]([C:7]1[C:15]2[C:10](=[N:11][CH:12]=[C:13]([C:16]3[C:24]4[C:19](=[CH:20][C:21]([F:26])=[CH:22][C:23]=4[F:25])[N:18]([CH3:27])[N:17]=3)[N:14]=2)[N:9](COCC[Si](C)(C)C)[CH:8]=1)=[O:6])([CH3:3])[CH3:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH:1]([NH:4][C:5]([C:7]1[C:15]2[C:10](=[N:11][CH:12]=[C:13]([C:16]3[C:24]4[C:19](=[CH:20][C:21]([F:26])=[CH:22][C:23]=4[F:25])[N:18]([CH3:27])[N:17]=3)[N:14]=2)[NH:9][CH:8]=1)=[O:6])([CH3:3])[CH3:2]
| null |
US08658646B2_1009
| 2,014 |
C[Si](C)(C)CCOC[n:9]1[cH:8][c:7]([C:5]([NH:4][CH:2]([CH3:1])[CH3:3])=[O:6])[c:27]2[c:10]1[n:11][cH:12][c:13](-[c:14]1[n:15][n:16]([CH3:17])[c:18]3[cH:19][c:20]([F:21])[cH:22][c:23]([F:24])[c:25]13)[n:26]2.ClCCl.O=C(O)C(F)(F)F>>[CH3:1][CH:2]([CH3:3])[NH:4][C:5](=[O:6])[c:7]1[cH:8][nH:9][c:10]2[n:11][cH:12][c:13](-[c:14]3[n:15][n:16]([CH3:17])[c:18]4[cH:19][c:20]([F:21])[cH:22][c:23]([F:24])[c:25]34)[n:26][c:27]12
| 0.918516 |
CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12.ClCCl.O=C(O)C(F)(F)F>>CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12
|
CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12.ClCCl.O=C(O)C(F)(F)F>>CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12
|
US08658646B2_1009grants
|
6c74676a5c4c00ae3e827afb3550f3a9f6bbe4245adf4ccc5c19b7dc
|
C[Si](C)(C)CCOC[n:9]1[cH:8][c:7]([C:5]([NH:4][CH:2]([CH3:1])[CH3:3])=[O:6])[c:27]2[c:10]1[n:11][cH:12][c:13](-[c:14]1[n:15][n:16]([CH3:17])[c:18]3[cH:19][c:20]([F:21])[cH:22][c:23]([F:24])[c:25]13)[n:26]2.ClCCl.O=C(O)C(F)(F)F
|
[CH3:1][CH:2]([CH3:3])[NH:4][C:5](=[O:6])[c:7]1[cH:8][nH:9][c:10]2[n:11][cH:12][c:13](-[c:14]3[n:15][n:16]([CH3:17])[c:18]4[cH:19][c:20]([F:21])[cH:22][c:23]([F:24])[c:25]34)[n:26][c:27]12
|
([#7;a:4]:[c:3](:[c:5]:[#7;a:6]):[nH;D2;+0:1]:[c:2])>>(C-[Si](-C)(-C)-C-C-O-C-[n;H0;D3;+0:1](:[c:2]):[c:3](:[#7;a:4]):[c:5]:[#7;a:6])
|
d2a12787876ac2ea48407a72ba5bfeed5a1afd017dde27eadd986d1f
| 1 | 1 |
ClCCl.O=C(O)C(F)(F)F
| 981 |
96,231 | 373,496 | 638,966 |
[F:1][C:2]1[CH:8]=[C:7]([F:9])[CH:6]=[CH:5][C:3]=1[NH2:4].[OH-].[Na+].Cl[C:13]([O:15][CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:14]>>[CH2:16]([O:15][C:13](=[O:14])[NH:4][C:3]1[CH:5]=[CH:6][C:7]([F:9])=[CH:8][C:2]=1[F:1])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1
|
|f:1.2|
|
US06696566B2_
| 2,004 |
Cl[C:2](=[O:1])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[NH2:3][c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][c:10]1[F:11].[Na+].[OH-]>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][c:10]1[F:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
| 0.948966 |
Nc1ccc(F)cc1F.O=C(Cl)OCc1ccccc1.[Na+]~[OH-]>>O=C(Nc1ccc(F)cc1F)OCc1ccccc1
|
Nc1ccc(F)cc1F.O=C(Cl)OCc1ccccc1.[Na+].[OH-]>>O=C(Nc1ccc(F)cc1F)OCc1ccccc1
|
US06696566B2_grants
|
b215897a4f4597e86132b8ffbf413983470f283263d77761e2c5f369
|
Cl[C:2](=[O:1])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[NH2:3][c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][c:10]1[F:11].[Na+].[OH-]
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][c:10]1[F:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[NH;D2;+0:11]-[c:12])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1).([NH2;D1;+0:11]-[c:12])
|
2ba8420c2b1e756a693262b85f12df70c0733c1e07bf4c117bf3b6f2
| 1 | 1 |
[Na+].[OH-]
| 509 |
264,425 | 870,662 | 1,449,565 |
[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[C:10](F)[CH:9]=2)[CH:5]=[C:4]([N:17]2[CH2:22][CH2:21][O:20][CH:19]([C:23]3[NH:24][CH:25]=[C:26]([C:28]4[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][CH:29]=4)[N:27]=3)[CH2:18]2)[N:3]=1.[NH2:35][NH2:36]>C(O)C>[NH2:1][C:2]1[N:7]=[C:6]([C:8]2[CH:9]=[C:10]3[C:11]([C:12]([NH2:13])=[N:35][NH:36]3)=[CH:14][CH:15]=2)[CH:5]=[C:4]([N:17]2[CH2:22][CH2:21][O:20][CH:19]([C:23]3[NH:24][CH:25]=[C:26]([C:28]4[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][CH:29]=4)[N:27]=3)[CH2:18]2)[N:3]=1
| null |
US08697685B2_1167
| 2,014 |
CCO.F[c:13]1[c:8]([C:9]#[N:10])[cH:7][cH:6][c:5](-[c:4]2[n:3][c:2]([NH2:1])[n:35][c:16]([N:17]3[CH2:18][CH2:19][O:20][CH:21]([c:22]4[n:23][c:24](-[c:25]5[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]5)[cH:32][nH:33]4)[CH2:34]3)[cH:15]2)[cH:14]1.[NH2:11][NH2:12]>>[NH2:1][c:2]1[n:3][c:4](-[c:5]2[cH:6][cH:7][c:8]3[c:9]([NH2:10])[n:11][nH:12][c:13]3[cH:14]2)[cH:15][c:16]([N:17]2[CH2:18][CH2:19][O:20][CH:21]([c:22]3[n:23][c:24](-[c:25]4[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]4)[cH:32][nH:33]3)[CH2:34]2)[n:35]1
| 0.722961 |
CCO.N#Cc1ccc(-c2cc(N3CCOC(c4nc(-c5ccc(Cl)cc5)c[nH]4)C3)nc(N)n2)cc1F.NN>>Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOC(c3nc(-c4ccc(Cl)cc4)c[nH]3)C2)n1
|
CCO.N#Cc1ccc(-c2cc(N3CCOC(c4nc(-c5ccc(Cl)cc5)c[nH]4)C3)nc(N)n2)cc1F.NN>>Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOC(c3nc(-c4ccc(Cl)cc4)c[nH]3)C2)n1
|
US08697685B2_1167grants
|
a71b018c9f73b397aab8850b0233c93f452cfd179e293fcc53f78fdc
|
CCO.F[c:13]1[c:8]([C:9]#[N:10])[cH:7][cH:6][c:5](-[c:4]2[n:3][c:2]([NH2:1])[n:35][c:16]([N:17]3[CH2:18][CH2:19][O:20][CH:21]([c:22]4[n:23][c:24](-[c:25]5[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]5)[cH:32][nH:33]4)[CH2:34]3)[cH:15]2)[cH:14]1.[NH2:11][NH2:12]
|
[NH2:1][c:2]1[n:3][c:4](-[c:5]2[cH:6][cH:7][c:8]3[c:9]([NH2:10])[n:11][nH:12][c:13]3[cH:14]2)[cH:15][c:16]([N:17]2[CH2:18][CH2:19][O:20][CH:21]([c:22]3[n:23][c:24](-[c:25]4[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]4)[cH:32][nH:33]3)[CH2:34]2)[n:35]1
|
([NH2;D1;+0:5]-[c;H0;D3;+0:4]1:[c:3]:[c;H0;D3;+0:1](:[c:2]):[nH;D2;+0:7]:[n;H0;D2;+0:6]:1)>>(F-[c;H0;D3;+0:1](:[c:2]):[c:3]-[C;H0;D2;+0:4]#[N;H0;D1;+0:5]).([NH2;D1;+0:6]-[NH2;D1;+0:7])
|
4541641fb6aa43e25d8a7be44ce554172c7edb82d803d5f2d26fd055
| 1 | 1 |
CCO
| 945 |
189,969 | 654,425 | 1,081,066 |
Cl.C(N=C=NCCCN(C)C)C.O.ON1C2C=CC=CC=2N=N1.[C:24]([C:32]1[CH:58]=[CH:57][C:35]2[N:36]=[C:37]([C:39]3[C:40]([CH3:56])=[C:41]([C:45]([N:47]4[CH2:52][CH2:51][CH:50]([C:53]([OH:55])=O)[CH2:49][CH2:48]4)=[O:46])[NH:42][C:43]=3[CH3:44])[NH:38][C:34]=2[CH:33]=1)(=[O:31])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[CH3:59][N:60]([CH3:64])[CH2:61][CH2:62][NH2:63]>N1C=CC=CC=1>[CH3:59][N:60]([CH2:61][CH2:62][NH:63][C:53]([CH:50]1[CH2:51][CH2:52][N:47]([C:45]([C:41]2[NH:42][C:43]([CH3:44])=[C:39]([C:37]3[NH:38][C:34]4[CH:33]=[C:32]([C:24](=[O:31])[C:25]5[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=5)[CH:58]=[CH:57][C:35]=4[N:36]=3)[C:40]=2[CH3:56])=[O:46])[CH2:48][CH2:49]1)=[O:55])[CH3:64]
|
|f:0.1,2.3|
|
US07951956B2_0569
| 2,011 |
CCN=C=NCCCN(C)C.Cl.O.O[C:11]([CH:10]1[CH2:9][CH2:8][N:7]([C:5]([c:4]2[nH:3][c:2]([CH3:1])[c:23](-[c:24]3[n:25][c:26]4[cH:27][cH:28][c:29]([C:30](=[O:31])[c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:38][c:39]4[nH:40]3)[c:21]2[CH3:22])=[O:6])[CH2:20][CH2:19]1)=[O:12].On1nnc2ccccc21.[NH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18].c1ccncc1>>[CH3:1][c:2]1[nH:3][c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][CH:10]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[CH2:19][CH2:20]2)[c:21]([CH3:22])[c:23]1-[c:24]1[n:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:38][c:39]2[nH:40]1
| 0.650824 |
CCN=C=NCCCN(C)C~Cl.CN(C)CCN.Cc1[nH]c(C(=O)N2CCC(C(=O)O)CC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.O~On1nnc2ccccc21.c1ccncc1>>Cc1[nH]c(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
|
CCN=C=NCCCN(C)C.CN(C)CCN.Cc1[nH]c(C(=O)N2CCC(C(=O)O)CC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.Cl.O.On1nnc2ccccc21.c1ccncc1>>Cc1[nH]c(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c(C)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
|
US07951956B2_0569grants
|
d80186b628320bba3e7c2169e8a2b69a25afd6bb9ab3c092bf413a96
|
CCN=C=NCCCN(C)C.Cl.O.O[C:11]([CH:10]1[CH2:9][CH2:8][N:7]([C:5]([c:4]2[nH:3][c:2]([CH3:1])[c:23](-[c:24]3[n:25][c:26]4[cH:27][cH:28][c:29]([C:30](=[O:31])[c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)[cH:38][c:39]4[nH:40]3)[c:21]2[CH3:22])=[O:6])[CH2:20][CH2:19]1)=[O:12].On1nnc2ccccc21.[NH2:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18].c1ccncc1
|
[CH3:1][c:2]1[nH:3][c:4]([C:5](=[O:6])[N:7]2[CH2:8][CH2:9][CH:10]([C:11](=[O:12])[NH:13][CH2:14][CH2:15][N:16]([CH3:17])[CH3:18])[CH2:19][CH2:20]2)[c:21]([CH3:22])[c:23]1-[c:24]1[n:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[cH:38][c:39]2[nH:40]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:5]-[C:4])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
|
9700dfbbea18932b10f40ed49527a6efd0b261364d0b5e3b1e240441
| 1 | 1 |
CCN=C=NCCCN(C)C.Cl.O.On1nnc2ccccc21.c1ccncc1
| 230 |
91,487 | 359,614 | 612,675 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:17][CH2:16][C:15]3[C:10](=[CH:11][CH:12]=[C:13]([O:18][CH3:19])[CH:14]=3)[CH:9]2[CH2:20][C:21]2[CH:26]=[CH:25][C:24]([OH:27])=[CH:23][CH:22]=2)=[CH:4][CH:3]=1.Cl.Cl[CH2:30][CH2:31][CH:32]1[CH2:36][CH2:35][CH2:34][N:33]1[CH3:37]>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:17][CH2:16][C:15]3[C:10](=[CH:11][CH:12]=[C:13]([O:18][CH3:19])[CH:14]=3)[CH:9]2[CH2:20][C:21]2[CH:22]=[CH:23][C:24]([O:27][CH2:30][CH2:31][CH:32]3[CH2:36][CH2:35][CH2:34][N:33]3[CH3:37])=[CH:25][CH:26]=2)=[CH:4][CH:3]=1
|
|f:1.2|
|
US06593322B1_
| 2,003 |
Cl.Cl[CH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH2:31][N:32]1[CH3:33].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[CH2:9][CH2:10][N:11]([c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1)[CH:19]2[CH2:20][c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:34][cH:35]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[CH2:9][CH2:10][N:11]([c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1)[CH:19]2[CH2:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH2:26][CH2:27][CH:28]2[CH2:29][CH2:30][CH2:31][N:32]2[CH3:33])[cH:34][cH:35]1
| 0.966275 |
CN1CCCC1CCCl~Cl.COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1ccc(O)cc1>>COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1ccc(OCCC2CCCN2C)cc1
|
CN1CCCC1CCCl.COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1ccc(O)cc1.Cl>>COc1ccc2c(c1)CCN(c1ccc(F)cc1)C2Cc1ccc(OCCC2CCCN2C)cc1
|
US06593322B1_grants
|
39870f31bb7df09b99d9985691ee40b723e7c5bacd5ab20988a84c36
|
Cl.Cl[CH2:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH2:31][N:32]1[CH3:33].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[CH2:9][CH2:10][N:11]([c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1)[CH:19]2[CH2:20][c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:34][cH:35]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[CH2:9][CH2:10][N:11]([c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1)[CH:19]2[CH2:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH2:26][CH2:27][CH:28]2[CH2:29][CH2:30][CH2:31][N:32]2[CH3:33])[cH:34][cH:35]1
|
([C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-[c:4])>>(Cl-[CH2;D2;+0:1]-[C:2]).([OH;D1;+0:3]-[c:4])
|
527560bc9018fea283f8e56075bc56b30679ebc551e8680bcfc16c9a
| 1 | 1 |
Cl
| 74 |
249,320 | 827,373 | 1,371,753 |
Cl.Cl.[NH2:3][C:4]1([CH2:10][NH:11][C:12](=[O:20])[C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=2)[CH2:9][CH2:8][NH:7][CH2:6][CH2:5]1.Cl[C:22]1[C:23]2[CH:30]=[CH:29][NH:28][C:24]=2[N:25]=[CH:26][N:27]=1.C(N(CC)CC)C>C(O)CCC>[NH2:3][C:4]1([CH2:10][NH:11][C:12](=[O:20])[C:13]2[CH:14]=[CH:15][C:16]([Cl:19])=[CH:17][CH:18]=2)[CH2:9][CH2:8][N:7]([C:22]2[C:23]3[CH:30]=[CH:29][NH:28][C:24]=3[N:25]=[CH:26][N:27]=2)[CH2:6][CH2:5]1
|
|f:0.1.2|
|
US08546407B2_1047
| 2,013 |
CCCCO.CCN(CC)CC.Cl.Cl.Cl[c:17]1[n:18][cH:19][n:20][c:21]2[nH:22][cH:23][cH:24][c:25]12.[NH2:1][C:2]1([CH2:3][NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]2)[CH2:14][CH2:15][NH:16][CH2:26][CH2:27]1>>[NH2:1][C:2]1([CH2:3][NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([c:17]2[n:18][cH:19][n:20][c:21]3[nH:22][cH:23][cH:24][c:25]23)[CH2:26][CH2:27]1
| 0.935995 |
CCCCO.CCN(CC)CC.Clc1ncnc2[nH]ccc12.Cl~Cl~NC1(CNC(=O)c2ccc(Cl)cc2)CCNCC1>>NC1(CNC(=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
|
CCCCO.CCN(CC)CC.Cl.Cl.Clc1ncnc2[nH]ccc12.NC1(CNC(=O)c2ccc(Cl)cc2)CCNCC1>>NC1(CNC(=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
|
US08546407B2_1047grants
|
1c88dc74a85ac53066ec1bb064e59510d50f1fc26a1a60543e453ec9
|
CCCCO.CCN(CC)CC.Cl.Cl.Cl[c:17]1[n:18][cH:19][n:20][c:21]2[nH:22][cH:23][cH:24][c:25]12.[NH2:1][C:2]1([CH2:3][NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]2)[CH2:14][CH2:15][NH:16][CH2:26][CH2:27]1
|
[NH2:1][C:2]1([CH2:3][NH:4][C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]2)[CH2:14][CH2:15][N:16]([c:17]2[n:18][cH:19][n:20][c:21]3[nH:22][cH:23][cH:24][c:25]23)[CH2:26][CH2:27]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3]:[c:4](:[#7;a:5]):[#7;a:6])-[N;H0;D3;+0:8](-[C:7])-[C:9])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]:[c:4](:[#7;a:5]):[#7;a:6]).([C:7]-[NH;D2;+0:8]-[C:9])
|
98993a88c10387a914bcf265b944bd72690195732e3c87635ca51ed2
| 1 | 1 |
CCCCO.CCN(CC)CC.Cl.Cl
| 540 |
390,645 | 1,151,214 | null |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C@H:10]([N:12]([CH2:20][C@@H:21]([C:23]2[CH:28]=[CH:27][C:26]([O:29][CH2:30][C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)=[C:25]([N+:37]([O-])=O)[CH:24]=2)[OH:22])[CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH3:11])=[CH:5][CH:4]=1.S(S([O-])=O)([O-])=O.[Na+].[Na+].N.C(OC(C)C)(C)C>O.CO.CC(C)=O>[NH2:37][C:25]1[CH:24]=[C:23]([C@H:21]([CH2:20][N:12]([C@H:10]([CH3:11])[CH2:9][C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)[CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[OH:22])[CH:28]=[CH:27][C:26]=1[O:29][CH2:30][C:31]1[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1
|
|f:1.2.3|
|
US20110313199A1_0202
| 2,011 |
CC(C)=O.CC(C)OC(C)C.CO.N.O.O=S([O-])S(=O)[O-].O=[N+:34]([O-])[c:33]1[c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:23][cH:22][c:21]([C@H:19]([CH2:18][N:10]([C@@H:8]([CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:37][cH:36]2)[CH3:9])[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[OH:20])[cH:35]1.[Na+].[Na+]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@@H:8]([CH3:9])[N:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][C@H:19]([OH:20])[c:21]2[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]([NH2:34])[cH:35]2)[cH:36][cH:37]1
| 0.795846 |
CC(C)=O.CC(C)OC(C)C.CO.COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1.N.O.O=S([O-])S(=O)[O-]~[Na+]~[Na+]>>COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(N)c2)cc1
|
CC(C)=O.CC(C)OC(C)C.CO.COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)cc1.N.O.O=S([O-])S(=O)[O-].[Na+].[Na+]>>COc1ccc(C[C@@H](C)N(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(N)c2)cc1
|
US20110313199A1_0202apps
|
e868c23be5082cad5caa17dcd4f9cee6ec92e5eed1718d9289a045f3
|
CC(C)=O.CC(C)OC(C)C.CO.N.O.O=S([O-])S(=O)[O-].O=[N+:34]([O-])[c:33]1[c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:23][cH:22][c:21]([C@H:19]([CH2:18][N:10]([C@@H:8]([CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:37][cH:36]2)[CH3:9])[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[OH:20])[cH:35]1.[Na+].[Na+]
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@@H:8]([CH3:9])[N:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][C@H:19]([OH:20])[c:21]2[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]([NH2:34])[cH:35]2)[cH:36][cH:37]1
|
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
|
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
| 1 | 1 |
CC(C)=O.CC(C)OC(C)C.CO.N.O.O=S([O-])S(=O)[O-].[Na+].[Na+]
| 1 |
370,147 | 763,172 | null |
[CH:1]([N:4]([CH3:17])[S:5]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[N+:14]([O-])=O)(=[O:7])=[O:6])([CH3:3])[CH3:2].CO.O.NN>[Ni].C(OCC)(=O)C>[CH:1]([N:4]([CH3:17])[S:5]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH2:14])(=[O:7])=[O:6])([CH3:3])[CH3:2]
|
|f:2.3|
|
US20090233878A1_0264
| 2,009 |
CCOC(C)=O.CO.NN.O.O=[N+:15]([O-])[c:14]1[c:9]([S:6]([N:4]([CH:2]([CH3:1])[CH3:3])[CH3:5])(=[O:7])=[O:8])[cH:10][cH:11][cH:12][cH:13]1.[Ni]>>[CH3:1][CH:2]([CH3:3])[N:4]([CH3:5])[S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[NH2:15]
| 0.516437 |
CC(C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].CCOC(C)=O.CO.NN~O.[Ni]>>CC(C)N(C)S(=O)(=O)c1ccccc1N
|
CC(C)N(C)S(=O)(=O)c1ccccc1[N+](=O)[O-].CCOC(C)=O.CO.NN.O.[Ni]>>CC(C)N(C)S(=O)(=O)c1ccccc1N
|
US20090233878A1_0264apps
|
7e208d7b4faba0c34abab676ce015df2a4ea71a60e2e1d4fea16816c
|
CCOC(C)=O.CO.NN.O.O=[N+:15]([O-])[c:14]1[c:9]([S:6]([N:4]([CH:2]([CH3:1])[CH3:3])[CH3:5])(=[O:7])=[O:8])[cH:10][cH:11][cH:12][cH:13]1.[Ni]
|
[CH3:1][CH:2]([CH3:3])[N:4]([CH3:5])[S:6](=[O:7])(=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[NH2:15]
|
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
|
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
| 1 | 1 |
CCOC(C)=O.CO.NN.O.[Ni]
| 1 |
321,229 | 1,044,158 | 1,770,950 |
[CH2:1]([O:8][C:9]1[C:10]([C:41](O)=[O:42])=[N:11][C:12]([C:15]2[C:16]([N:35]([CH3:40])[S:36]([CH3:39])(=[O:38])=[O:37])=[CH:17][C:18]3[O:22][C:21]([C:23]4[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=4)=[C:20]([C:30](=[O:33])[NH:31][CH3:32])[C:19]=3[CH:34]=2)=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(CC)CC.[F:75][C:76]1[CH:81]=[CH:80][C:79]([CH2:82][NH2:83])=[CH:78][CH:77]=1>CN(C=O)C.O>[CH2:1]([O:8][C:9]1[C:10]([C:41]([NH:83][CH2:82][C:79]2[CH:80]=[CH:81][C:76]([F:75])=[CH:77][CH:78]=2)=[O:42])=[N:11][C:12]([C:15]2[C:16]([N:35]([CH3:40])[S:36]([CH3:39])(=[O:37])=[O:38])=[CH:17][C:18]3[O:22][C:21]([C:23]4[CH:24]=[CH:25][C:26]([F:29])=[CH:27][CH:28]=4)=[C:20]([C:30](=[O:33])[NH:31][CH3:32])[C:19]=3[CH:34]=2)=[CH:13][CH:14]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
|
|f:1.2|
|
US09364482B2_0276
| 2,016 |
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:38]([c:37]1[c:28]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:27][cH:26][c:25](-[c:24]2[c:17]([N:18]([CH3:19])[S:20]([CH3:21])(=[O:22])=[O:23])[cH:16][c:15]3[o:14][c:6](-[c:7]4[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]4)[c:5]([C:3]([NH:2][CH3:1])=[O:4])[c:51]3[cH:50]2)[n:49]1)=[O:39].[NH2:40][CH2:41][c:42]1[cH:43][cH:44][c:45]([F:46])[cH:47][cH:48]1>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][c:17]([N:18]([CH3:19])[S:20]([CH3:21])(=[O:22])=[O:23])[c:24](-[c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[c:37]([C:38](=[O:39])[NH:40][CH2:41][c:42]4[cH:43][cH:44][c:45]([F:46])[cH:47][cH:48]4)[n:49]3)[cH:50][c:51]12
| 0.636985 |
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OCc4ccccc4)c(C(=O)O)n3)cc12.NCc1ccc(F)cc1.O>>CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OCc4ccccc4)c(C(=O)NCc4ccc(F)cc4)n3)cc12
|
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OCc4ccccc4)c(C(=O)O)n3)cc12.F[P-](F)(F)(F)(F)F.NCc1ccc(F)cc1.O>>CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OCc4ccccc4)c(C(=O)NCc4ccc(F)cc4)n3)cc12
|
US09364482B2_0276grants
|
29e198f644e629da7c3ca9675a5d5092df8b12a219063e08c81643b9
|
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:38]([c:37]1[c:28]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:27][cH:26][c:25](-[c:24]2[c:17]([N:18]([CH3:19])[S:20]([CH3:21])(=[O:22])=[O:23])[cH:16][c:15]3[o:14][c:6](-[c:7]4[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]4)[c:5]([C:3]([NH:2][CH3:1])=[O:4])[c:51]3[cH:50]2)[n:49]1)=[O:39].[NH2:40][CH2:41][c:42]1[cH:43][cH:44][c:45]([F:46])[cH:47][cH:48]1
|
[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][c:17]([N:18]([CH3:19])[S:20]([CH3:21])(=[O:22])=[O:23])[c:24](-[c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[c:37]([C:38](=[O:39])[NH:40][CH2:41][c:42]4[cH:43][cH:44][c:45]([F:46])[cH:47][cH:48]4)[n:49]3)[cH:50][c:51]12
|
([#7;a:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#7;a:4]).([NH2;D1;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)
|
38ba05c64519c4cbec396cedcc787e80df3ac7bb008ed06bcc6526d3
| 1 | 1 |
CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O
| 905 |
147,258 | 527,562 | 883,856 |
C(OC([NH:8][CH2:9][CH:10]1[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][CH2:18][O:19][C:20]2[CH:29]=[C:28]3[C:23]([C:24]([NH:30][C:31]([NH:33][C:34]4[C:39]([CH3:40])=[CH:38][CH:37]=[CH:36][C:35]=4[Cl:41])=[O:32])=[N:25][CH:26]=[N:27]3)=[CH:22][C:21]=2[O:42][CH3:43])[CH2:12][CH2:11]1)=O)(C)(C)C.FC(F)(F)C(O)=O>>[NH2:8][CH2:9][CH:10]1[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][CH2:18][O:19][C:20]2[CH:29]=[C:28]3[C:23]([C:24]([NH:30][C:31]([NH:33][C:34]4[C:39]([CH3:40])=[CH:38][CH:37]=[CH:36][C:35]=4[Cl:41])=[O:32])=[N:25][CH:26]=[N:27]3)=[CH:22][C:21]=2[O:42][CH3:43])[CH2:12][CH2:11]1
| null |
US07498335B2_0662
| 2,009 |
CC(C)(C)OC(=O)[NH:34][CH2:33][CH:32]1[CH2:31][CH2:30][N:29]([CH2:28][CH2:27][CH2:26][O:25][c:24]2[c:3]([O:2][CH3:1])[cH:4][c:5]3[c:6]([NH:7][C:8](=[O:9])[NH:10][c:11]4[c:12]([CH3:13])[cH:14][cH:15][cH:16][c:17]4[Cl:18])[n:19][cH:20][n:21][c:22]3[cH:23]2)[CH2:36][CH2:35]1.O=C(O)C(F)(F)F>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([NH:7][C:8](=[O:9])[NH:10][c:11]3[c:12]([CH3:13])[cH:14][cH:15][cH:16][c:17]3[Cl:18])[n:19][cH:20][n:21][c:22]2[cH:23][c:24]1[O:25][CH2:26][CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][CH:32]([CH2:33][NH2:34])[CH2:35][CH2:36]1
| 0.966048 |
COc1cc2c(NC(=O)Nc3c(C)cccc3Cl)ncnc2cc1OCCCN1CCC(CNC(=O)OC(C)(C)C)CC1.O=C(O)C(F)(F)F>>COc1cc2c(NC(=O)Nc3c(C)cccc3Cl)ncnc2cc1OCCCN1CCC(CN)CC1
|
COc1cc2c(NC(=O)Nc3c(C)cccc3Cl)ncnc2cc1OCCCN1CCC(CNC(=O)OC(C)(C)C)CC1.O=C(O)C(F)(F)F>>COc1cc2c(NC(=O)Nc3c(C)cccc3Cl)ncnc2cc1OCCCN1CCC(CN)CC1
|
US07498335B2_0662grants
|
bd71c750f2ecf25c3c75933ea1c8fd4111417e5ab2ae5c40cbcaa649
|
CC(C)(C)OC(=O)[NH:34][CH2:33][CH:32]1[CH2:31][CH2:30][N:29]([CH2:28][CH2:27][CH2:26][O:25][c:24]2[c:3]([O:2][CH3:1])[cH:4][c:5]3[c:6]([NH:7][C:8](=[O:9])[NH:10][c:11]4[c:12]([CH3:13])[cH:14][cH:15][cH:16][c:17]4[Cl:18])[n:19][cH:20][n:21][c:22]3[cH:23]2)[CH2:36][CH2:35]1.O=C(O)C(F)(F)F
|
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([NH:7][C:8](=[O:9])[NH:10][c:11]3[c:12]([CH3:13])[cH:14][cH:15][cH:16][c:17]3[Cl:18])[n:19][cH:20][n:21][c:22]2[cH:23][c:24]1[O:25][CH2:26][CH2:27][CH2:28][N:29]1[CH2:30][CH2:31][CH:32]([CH2:33][NH2:34])[CH2:35][CH2:36]1
|
([C:2]-[NH2;D1;+0:1])>>(C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C:2])
|
6c83f45f485301792011c63e6835be21ece3be24f5b32a6e45acc5be
| 1 | 1 |
O=C(O)C(F)(F)F
| 538 |
310,468 | 1,009,605 | 1,708,557 |
[CH3:1][N:2]([CH3:18])[C:3]1[NH:7][C:6]2[CH:8]=[C:9]([N+:15]([O-:17])=[O:16])[CH:10]=[C:11]([C:12]([O-:14])=[O:13])[C:5]=2[N:4]=1.O.[OH-].[Li+]>C1COCC1.O>[CH3:1][N:2]([CH3:18])[C:3]1[NH:7][C:6]2[CH:8]=[C:9]([N+:15]([O-:17])=[O:16])[CH:10]=[C:11]([C:12]([OH:14])=[O:13])[C:5]=2[N:4]=1
|
|f:1.2.3,4.5|
|
US09216968B2_0901
| 2,015 |
C1CCOC1.O.O.[CH3:1][N:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([C:8](=[O:9])[O-:10])[cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][c:17]2[nH:18]1.[Li+].[OH-]>>[CH3:1][N:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][c:17]2[nH:18]1
| 0.829734 |
C1CCOC1~O.CN(C)c1nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[nH]1.O~[Li+]~[OH-]>>CN(C)c1nc2c(C(=O)O)cc([N+](=O)[O-])cc2[nH]1
|
C1CCOC1.CN(C)c1nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[nH]1.O.O.[Li+].[OH-]>>CN(C)c1nc2c(C(=O)O)cc([N+](=O)[O-])cc2[nH]1
|
US09216968B2_0901grants
|
1ce06d46256812be06bf90ce4f0b5456b7a76c398b005ed683271052
|
C1CCOC1.O.O.[CH3:1][N:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([C:8](=[O:9])[O-:10])[cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][c:17]2[nH:18]1.[Li+].[OH-]
|
[CH3:1][N:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][c:17]2[nH:18]1
|
([O;D1;H0:3]=[C:2]-[OH;D1;+0:1])>>([O-;H0;D1:1]-[C:2]=[O;D1;H0:3])
|
d302b0a8e5fe5df9a07099054583b7a5e0e004b901425204b8c8f037
| 1 | 1 |
C1CCOC1.O.O.[Li+].[OH-]
| 151 |
14,722 | 72,905 | 119,836 |
[C:1]([C:3]1[CH:22]=[CH:21][C:6]([O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]2[O:19][N:18]=[C:17]([CH3:20])[CH:16]=2)=[CH:5][CH:4]=1)#[N:2].OO.[OH-].[Na+].S(=O)(=O)(O)[OH:28]>C(O)C>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([O:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]2[O:19][N:18]=[C:17]([CH3:20])[CH:16]=2)=[CH:21][CH:22]=1)(=[O:28])[NH2:2]
|
|f:2.3|
|
US04451476_
| 1,984 |
CCO.O=S(=O)(O)O.O[OH:19].[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:20][cH:21]2)[o:22][n:23]1.[Na+].[OH-]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([C:17]([NH2:18])=[O:19])[cH:20][cH:21]2)[o:22][n:23]1
| 0.399995 |
CCO.Cc1cc(CCCCCCCOc2ccc(C#N)cc2)on1.O=S(=O)(O)O.OO.[Na+]~[OH-]>>Cc1cc(CCCCCCCOc2ccc(C(N)=O)cc2)on1
|
CCO.Cc1cc(CCCCCCCOc2ccc(C#N)cc2)on1.O=S(=O)(O)O.OO.[Na+].[OH-]>>Cc1cc(CCCCCCCOc2ccc(C(N)=O)cc2)on1
|
US04451476_grants
|
3f524617d70cb88966c036b0ebdee3ec9d6080974a01c70efaf9846b
|
CCO.O=S(=O)(O)O.O[OH:19].[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:20][cH:21]2)[o:22][n:23]1.[Na+].[OH-]
|
[CH3:1][c:2]1[cH:3][c:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([C:17]([NH2:18])=[O:19])[cH:20][cH:21]2)[o:22][n:23]1
|
([NH2;D1;+0:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:1])-[c:4])>>(O-[OH;D1;+0:1]).([N;H0;D1;+0:2]#[C;H0;D2;+0:3]-[c:4])
|
a9a3ec839187bdc66c4e3b22c553f3cf620f3c042c320f541f4f7c7d
| 1 | 1 |
CCO.O=S(=O)(O)O.[Na+].[OH-]
| 180 |
195,164 | 669,208 | 1,106,420 |
[OH-].[Na+].[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[C:4]1[C:12]([O:14]C)=[O:13]>CO.O>[NH:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[C:4]1[C:12]([OH:14])=[O:13]
|
|f:0.1,3.4|
|
US08008340B2_0169
| 2,011 |
CO.C[O:3][C:2](=[O:1])[c:4]1[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[nH:12]1.O.[Na+].[OH-]>>[O:1]=[C:2]([OH:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[nH:12]1
| 0.921252 |
COC(=O)c1cc2ccccc2[nH]1.CO~O.[Na+]~[OH-]>>O=C(O)c1cc2ccccc2[nH]1
|
CO.COC(=O)c1cc2ccccc2[nH]1.O.[Na+].[OH-]>>O=C(O)c1cc2ccccc2[nH]1
|
US08008340B2_0169grants
|
724fdf9aadde40edc110dbcc54d30b220f75d6d0c7fa4415aaded5d4
|
CO.C[O:3][C:2](=[O:1])[c:4]1[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[nH:12]1.O.[Na+].[OH-]
|
[O:1]=[C:2]([OH:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[nH:12]1
|
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4])>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4])
|
b499e0b68ab8cc89df665c73ba592c6e17427fbd5b75a0a04b8fb5db
| 1 | 1 |
CO.O.[Na+].[OH-]
| 152 |
133,108 | 484,506 | 816,061 |
[Cl:1][C:2]1[CH:3]=[C:4]2[O:8][C:7]([C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=3)=[N:6][C:5]2=[C:15]([C:17]([OH:19])=O)[CH:16]=1.[NH2:20][CH:21]1[CH2:27][CH:26]2[N:28]([CH3:29])[CH:23]([CH2:24][CH2:25]2)[CH2:22]1>>[CH3:29][N:28]1[CH:23]2[CH2:24][CH2:25][CH:26]1[CH2:27][CH:21]([NH:20][C:17]([C:15]1[CH:16]=[C:2]([Cl:1])[CH:3]=[C:4]3[O:8][C:7]([C:9]4[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=4)=[N:6][C:5]=13)=[O:19])[CH2:22]2
| null |
US07307094B2_0092
| 2,007 |
O[C:10](=[O:11])[c:12]1[cH:13][c:14]([Cl:15])[cH:16][c:17]2[o:18][c:19](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:26][c:27]12.[CH3:1][N:2]1[CH:3]2[CH2:4][CH2:5][CH:6]1[CH2:7][CH:8]([NH2:9])[CH2:28]2>>[CH3:1][N:2]1[CH:3]2[CH2:4][CH2:5][CH:6]1[CH2:7][CH:8]([NH:9][C:10](=[O:11])[c:12]1[cH:13][c:14]([Cl:15])[cH:16][c:17]3[o:18][c:19](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:26][c:27]13)[CH2:28]2
| 0.726664 |
CN1C2CCC1CC(N)C2.O=C(O)c1cc(Cl)cc2oc(-c3ccccc3)nc12>>CN1C2CCC1CC(NC(=O)c1cc(Cl)cc3oc(-c4ccccc4)nc13)C2
|
CN1C2CCC1CC(N)C2.O=C(O)c1cc(Cl)cc2oc(-c3ccccc3)nc12>>CN1C2CCC1CC(NC(=O)c1cc(Cl)cc3oc(-c4ccccc4)nc13)C2
|
US07307094B2_0092grants
|
e52bc41385a282e9f83ad79cb526223bbc67ba91c490e8d58025d9df
|
O[C:10](=[O:11])[c:12]1[cH:13][c:14]([Cl:15])[cH:16][c:17]2[o:18][c:19](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:26][c:27]12.[CH3:1][N:2]1[CH:3]2[CH2:4][CH2:5][CH:6]1[CH2:7][CH:8]([NH2:9])[CH2:28]2
|
[CH3:1][N:2]1[CH:3]2[CH2:4][CH2:5][CH:6]1[CH2:7][CH:8]([NH:9][C:10](=[O:11])[c:12]1[cH:13][c:14]([Cl:15])[cH:16][c:17]3[o:18][c:19](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[n:26][c:27]13)[CH2:28]2
|
([#7;a:5]:[c:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:7]-[C:6])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[c:4]:[#7;a:5]).([C:6]-[NH2;D1;+0:7])
|
c8d3e8be644ca37fe3075935d6d9f9515443e1dc5a5fca512a1988ac
| 1 | 1 | null | 674 |
8,352 | 42,659 | 68,449 |
[Na].[C:2]([C:5]1[N:6]=[C:7]([CH2:11][C:12]([O:14]CC)=[O:13])[NH:8][C:9]=1[OH:10])(=[O:4])[NH2:3]>CO>[C:2]([C:5]1[N:6]=[C:7]([CH2:11][C:12]([OH:14])=[O:13])[NH:8][C:9]=1[OH:10])(=[O:4])[NH2:3]
|
|^1:0|
|
US04209525_
| 1,980 |
CC[O:10][C:8]([CH2:7][c:6]1[n:5][c:4]([C:2]([NH2:1])=[O:3])[c:12]([OH:13])[nH:11]1)=[O:9].CO.[Na]>>[NH2:1][C:2](=[O:3])[c:4]1[n:5][c:6]([CH2:7][C:8](=[O:9])[OH:10])[nH:11][c:12]1[OH:13]
| 0.995666 |
CCOC(=O)Cc1nc(C(N)=O)c(O)[nH]1.CO.[Na]>>NC(=O)c1nc(CC(=O)O)[nH]c1O
|
CCOC(=O)Cc1nc(C(N)=O)c(O)[nH]1.CO.[Na]>>NC(=O)c1nc(CC(=O)O)[nH]c1O
|
US04209525_grants
|
0327a068c4a406865d2849d393b354ad69f71ddef880f98dd8bf557f
|
CC[O:10][C:8]([CH2:7][c:6]1[n:5][c:4]([C:2]([NH2:1])=[O:3])[c:12]([OH:13])[nH:11]1)=[O:9].CO.[Na]
|
[NH2:1][C:2](=[O:3])[c:4]1[n:5][c:6]([CH2:7][C:8](=[O:9])[OH:10])[nH:11][c:12]1[OH:13]
|
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
|
9a4c5ceadb3b4a753bb8f03491f138cd875a84f1d327e818237f90df
| 1 | 1 |
CO.[Na]
| 7 |
102,190 | 391,505 | 669,180 |
Br[C:2]1[CH:3]=[C:4]([CH:34]=[CH:35][CH:36]=1)[CH2:5][N:6]([C@@H:24]1[C:33]2[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH2:27][CH2:26][CH2:25]1)[C:7]([C:9]1[CH:14]=[C:13]([C:15]([OH:17])=[O:16])[C:12]([C:18]([OH:20])=[O:19])=[CH:11][C:10]=1[C:21]([OH:23])=[O:22])=[O:8].[CH3:37][O:38][C:39]1[CH:40]=[C:41](B(O)O)[CH:42]=[CH:43][CH:44]=1>>[CH3:37][O:38][C:39]1[CH:44]=[C:43]([C:2]2[CH:36]=[CH:35][CH:34]=[C:4]([CH2:5][N:6]([C@@H:24]3[C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[CH2:27][CH2:26][CH2:25]3)[C:7]([C:9]3[CH:14]=[C:13]([C:15]([OH:17])=[O:16])[C:12]([C:18]([OH:20])=[O:19])=[CH:11][C:10]=3[C:21]([OH:23])=[O:22])=[O:8])[CH:3]=2)[CH:42]=[CH:41][CH:40]=1
| null |
US06831193B2_
| 2,004 |
Br[c:8]1[cH:9][cH:10][cH:11][c:12]([CH2:13][N:14]([C:15](=[O:16])[c:17]2[cH:18][c:19]([C:20](=[O:21])[OH:22])[c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]2[C:29](=[O:30])[OH:31])[C@H:32]2[CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]32)[cH:42]1.OB(O)[c:7]1[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:43]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][c:12]([CH2:13][N:14]([C:15](=[O:16])[c:17]3[cH:18][c:19]([C:20](=[O:21])[OH:22])[c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]3[C:29](=[O:30])[OH:31])[C@H:32]3[CH2:33][CH2:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][c:41]43)[cH:42]2)[cH:43]1
| 0.708865 |
COc1cccc(B(O)O)c1.O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O>>COc1cccc(-c2cccc(CN(C(=O)c3cc(C(=O)O)c(C(=O)O)cc3C(=O)O)[C@H]3CCCc4ccccc43)c2)c1
|
COc1cccc(B(O)O)c1.O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(Br)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O>>COc1cccc(-c2cccc(CN(C(=O)c3cc(C(=O)O)c(C(=O)O)cc3C(=O)O)[C@H]3CCCc4ccccc43)c2)c1
|
US06831193B2_grants
|
3f2dca3ddc3559c7f25b0534c40d8317dae44dd2e6e6a28fac2a043b
|
Br[c:8]1[cH:9][cH:10][cH:11][c:12]([CH2:13][N:14]([C:15](=[O:16])[c:17]2[cH:18][c:19]([C:20](=[O:21])[OH:22])[c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]2[C:29](=[O:30])[OH:31])[C@H:32]2[CH2:33][CH2:34][CH2:35][c:36]3[cH:37][cH:38][cH:39][cH:40][c:41]32)[cH:42]1.OB(O)[c:7]1[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:43]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][c:12]([CH2:13][N:14]([C:15](=[O:16])[c:17]3[cH:18][c:19]([C:20](=[O:21])[OH:22])[c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]3[C:29](=[O:30])[OH:31])[C@H:32]3[CH2:33][CH2:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][c:41]43)[cH:42]2)[cH:43]1
|
([#7:5]-[C:4]-[c:3]1:[c:6]:[c:7]:[c:8]:[c;H0;D3;+0:1](-[c;H0;D3;+0:9](:[c:10]):[c:11]):[c:2]:1)>>(Br-[c;H0;D3;+0:1]1:[c:2]:[c:3](-[C:4]-[#7:5]):[c:6]:[c:7]:[c:8]:1).(O-B(-O)-[c;H0;D3;+0:9](:[c:10]):[c:11])
|
7bd6a92d735b3b6f79ada269c171ac3f33828946f016ca6ea64519fa
| 1 | 1 | null | 908 |
392,374 | 1,201,208 | null |
[NH2:1][C@@H:2]([C:4]1[CH:9]=[CH:8][C:7]([NH:10][S:11]([CH3:14])(=[O:13])=[O:12])=[C:6]([CH3:15])[CH:5]=1)[CH3:3].[N:16]1([C:21]2[CH:22]=[C:23]3[C:28](=[CH:29][CH:30]=2)[CH:27]=[C:26]([C:31](O)=[O:32])[CH:25]=[CH:24]3)[CH2:20][CH2:19][CH2:18][CH2:17]1.Cl.CN(C)CCCN=C=NCC.O.ON1C2C=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C.C([O-])(O)=O.[Na+]>CN(C=O)C.CN(C)C1C=CN=CC=1>[CH3:14][S:11]([NH:10][C:7]1[CH:8]=[CH:9][C:4]([C@H:2]([NH:1][C:31]([C:26]2[CH:25]=[CH:24][C:23]3[C:28](=[CH:29][CH:30]=[C:21]([N:16]4[CH2:20][CH2:19][CH2:18][CH2:17]4)[CH:22]=3)[CH:27]=2)=[O:32])[CH3:3])=[CH:5][C:6]=1[CH3:15])(=[O:13])=[O:12]
|
|f:2.3,4.5,7.8|
|
US20120088746A1_0656
| 2,012 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.CN(C)c1ccncc1.Cl.O.O=C([O-])O.O[C:8](=[O:9])[c:10]1[cH:11][cH:12][c:13]2[cH:14][c:15]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:21][cH:22][c:23]2[cH:24]1.On1nnc2ccccc21.[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([CH3:6])[NH2:7])[cH:25][cH:26][c:27]1[NH:28][S:29]([CH3:30])(=[O:31])=[O:32].[Na+]>>[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([CH3:6])[NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([N:16]4[CH2:17][CH2:18][CH2:19][CH2:20]4)[cH:21][cH:22][c:23]3[cH:24]2)[cH:25][cH:26][c:27]1[NH:28][S:29]([CH3:30])(=[O:31])=[O:32]
| 0.559243 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C~Cl.CN(C)C=O.CN(C)c1ccncc1.Cc1cc([C@@H](C)N)ccc1NS(C)(=O)=O.O=C(O)c1ccc2cc(N3CCCC3)ccc2c1.O=C([O-])O~[Na+].O~On1nnc2ccccc21>>Cc1cc([C@@H](C)NC(=O)c2ccc3cc(N4CCCC4)ccc3c2)ccc1NS(C)(=O)=O
|
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.CN(C)c1ccncc1.Cc1cc([C@@H](C)N)ccc1NS(C)(=O)=O.Cl.O.O=C(O)c1ccc2cc(N3CCCC3)ccc2c1.O=C([O-])O.On1nnc2ccccc21.[Na+]>>Cc1cc([C@@H](C)NC(=O)c2ccc3cc(N4CCCC4)ccc3c2)ccc1NS(C)(=O)=O
|
US20120088746A1_0656apps
|
ac287d4b17969b6fdbf9a1a14b6e7a98bd32e8e4b5c6e1a167ee4e01
|
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.CN(C)c1ccncc1.Cl.O.O=C([O-])O.O[C:8](=[O:9])[c:10]1[cH:11][cH:12][c:13]2[cH:14][c:15]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[cH:21][cH:22][c:23]2[cH:24]1.On1nnc2ccccc21.[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([CH3:6])[NH2:7])[cH:25][cH:26][c:27]1[NH:28][S:29]([CH3:30])(=[O:31])=[O:32].[Na+]
|
[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([CH3:6])[NH:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([N:16]4[CH2:17][CH2:18][CH2:19][CH2:20]4)[cH:21][cH:22][c:23]3[cH:24]2)[cH:25][cH:26][c:27]1[NH:28][S:29]([CH3:30])(=[O:31])=[O:32]
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)
|
1e906db6a77b0514fde5b7203388f1047e0cbf77350c2b0657491a6b
| 1 | 1 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.CN(C)c1ccncc1.Cl.O.O=C([O-])O.On1nnc2ccccc21.[Na+]
| 753 |
135,714 | 492,348 | 829,493 |
[CH:1]([C:3]1[CH:4]=[C:5]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[O:15][C:16]([F:19])([F:18])[F:17])[CH:6]=[CH:7][CH:8]=1)=O.[S:20]1[CH2:24][C:23](=[O:25])[NH:22][C:21]1=[O:26].N1CCCCC1.C(O)(=O)C1C=CC=CC=1>C1(C)C=CC=CC=1.O>[F:17][C:16]([F:19])([F:18])[O:15][C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=1[C:5]1[CH:4]=[C:3]([CH:8]=[CH:7][CH:6]=1)[CH:1]=[C:24]1[S:20][C:21](=[O:26])[NH:22][C:23]1=[O:25]
| null |
US07348348B2_0268
| 2,008 |
C1CCNCC1.Cc1ccccc1.O.O=C(O)c1ccccc1.O=[CH:7][c:8]1[cH:9][cH:10][cH:11][c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[O:19][C:20]([F:21])([F:22])[F:23])[cH:24]1.[O:1]=[C:2]1[NH:3][C:4](=[O:5])[CH2:6][S:25]1>>[O:1]=[C:2]1[NH:3][C:4](=[O:5])[C:6](=[CH:7][c:8]2[cH:9][cH:10][cH:11][c:12](-[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[O:19][C:20]([F:21])([F:22])[F:23])[cH:24]2)[S:25]1
| 0.292287 |
C1CCNCC1.Cc1ccccc1.O.O=C(O)c1ccccc1.O=C1CSC(=O)N1.O=Cc1cccc(-c2ccccc2OC(F)(F)F)c1>>O=C1NC(=O)C(=Cc2cccc(-c3ccccc3OC(F)(F)F)c2)S1
|
C1CCNCC1.Cc1ccccc1.O.O=C(O)c1ccccc1.O=C1CSC(=O)N1.O=Cc1cccc(-c2ccccc2OC(F)(F)F)c1>>O=C1NC(=O)C(=Cc2cccc(-c3ccccc3OC(F)(F)F)c2)S1
|
US07348348B2_0268grants
|
916793e6180059e632ddc8d576c92a4fbf78e4e4d617c9e44bce01a3
|
C1CCNCC1.Cc1ccccc1.O.O=C(O)c1ccccc1.O=[CH:7][c:8]1[cH:9][cH:10][cH:11][c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[O:19][C:20]([F:21])([F:22])[F:23])[cH:24]1.[O:1]=[C:2]1[NH:3][C:4](=[O:5])[CH2:6][S:25]1
|
[O:1]=[C:2]1[NH:3][C:4](=[O:5])[C:6](=[CH:7][c:8]2[cH:9][cH:10][cH:11][c:12](-[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[O:19][C:20]([F:21])([F:22])[F:23])[cH:24]2)[S:25]1
|
([O;D1;H0:3]=[C:4]1-[#16:5]-[C;H0;D3;+0:6](=[CH;D2;+0:1]-[c:2])-[C:7](=[O;D1;H0:8])-[#7:9]-1)>>(O=[CH;D2;+0:1]-[c:2]).([O;D1;H0:3]=[C:4]1-[#16:5]-[CH2;D2;+0:6]-[C:7](=[O;D1;H0:8])-[#7:9]-1)
|
e0947224128ae86a8c5a6c10a0505319c2effe8a64ace8a83a9f8793
| 1 | 1 |
C1CCNCC1.Cc1ccccc1.O.O=C(O)c1ccccc1
| 761 |
94,117 | 367,387 | 626,909 |
[Cl:1]N1C(=O)CCC1=O.[C:9]([C:11]1[CH:12]=[C:13]([C:17]2[CH:26]=[C:25]3[C:20]([CH:21]=[CH:22][NH:23][C:24]3=[O:27])=[CH:19][CH:18]=2)[CH:14]=[CH:15][CH:16]=1)#[N:10]>CC(N(C)C)=O>[Cl:1][C:21]1[C:20]2[C:25](=[CH:26][C:17]([C:13]3[CH:14]=[CH:15][CH:16]=[C:11]([C:9]#[N:10])[CH:12]=3)=[CH:18][CH:19]=2)[C:24](=[O:27])[NH:23][CH:22]=1
| null |
US06645979B2_
| 2,003 |
CC(=O)N(C)C.O=C1CCC(=O)N1[Cl:13].[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]3[cH:12][cH:14][nH:15][c:16](=[O:17])[c:18]3[cH:19]2)[cH:20]1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([Cl:13])[cH:14][nH:15][c:16](=[O:17])[c:18]3[cH:19]2)[cH:20]1
| 0.991163 |
CC(=O)N(C)C.N#Cc1cccc(-c2ccc3cc[nH]c(=O)c3c2)c1.O=C1CCC(=O)N1Cl>>N#Cc1cccc(-c2ccc3c(Cl)c[nH]c(=O)c3c2)c1
|
CC(=O)N(C)C.N#Cc1cccc(-c2ccc3cc[nH]c(=O)c3c2)c1.O=C1CCC(=O)N1Cl>>N#Cc1cccc(-c2ccc3c(Cl)c[nH]c(=O)c3c2)c1
|
US06645979B2_grants
|
2d707d81b95cdb90c3fabf14766a80c7714f58d17774cc5d6e03a4d2
|
CC(=O)N(C)C.O=C1CCC(=O)N1[Cl:13].[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]3[cH:12][cH:14][nH:15][c:16](=[O:17])[c:18]3[cH:19]2)[cH:20]1
|
[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]3[c:12]([Cl:13])[cH:14][nH:15][c:16](=[O:17])[c:18]3[cH:19]2)[cH:20]1
|
([#7;a:2]:[c:3]:[c;H0;D3;+0:4](-[Cl;H0;D1;+0:1]):[c:5])>>(O=C1-C-C-C(=O)-N-1-[Cl;H0;D1;+0:1]).([#7;a:2]:[c:3]:[cH;D2;+0:4]:[c:5])
|
d7fc683f3adfe579d03e18922d0162503d69da4873e27601fda24d07
| 1 | 1 |
CC(=O)N(C)C
| 743 |
1,867 | 9,747 | 11,459 |
[C:1]1(=[O:7])[O:6][C:4](=[O:5])[CH2:3][CH2:2]1.[O:8]([CH:15]1[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]1)[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[Cl-].[Al+3].[Cl-].[Cl-].Cl>ClCCCl>[CH:15]1([O:8][C:9]2[CH:14]=[CH:13][C:12]([C:4]([CH2:3][CH2:2][C:1]([OH:6])=[O:7])=[O:5])=[CH:11][CH:10]=2)[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]1
|
|f:2.3.4.5|
|
US03975388_
| 1,976 |
Cl.ClCCCl.[Al+3].[Cl-].[Cl-].[Cl-].[O:1]=[C:2]1[O:3][C:6](=[O:7])[CH2:5][CH2:4]1.[cH:8]1[cH:9][cH:10][c:11]([O:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:19][cH:20]1>>[O:1]=[C:2]([OH:3])[CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([O:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:19][cH:20]1
| 0.558803 |
Cl.ClCCCl.O=C1CCC(=O)O1.[Al+3]~[Cl-]~[Cl-]~[Cl-].c1ccc(OC2CCCCC2)cc1>>O=C(O)CCC(=O)c1ccc(OC2CCCCC2)cc1
|
Cl.ClCCCl.O=C1CCC(=O)O1.[Al+3].[Cl-].[Cl-].[Cl-].c1ccc(OC2CCCCC2)cc1>>O=C(O)CCC(=O)c1ccc(OC2CCCCC2)cc1
|
US03975388_grants
|
a159db61a176d59dfc2b2584c9555c6b0d170c8f043a5819eb37bba2
|
Cl.ClCCCl.[Al+3].[Cl-].[Cl-].[Cl-].[O:1]=[C:2]1[O:3][C:6](=[O:7])[CH2:5][CH2:4]1.[cH:8]1[cH:9][cH:10][c:11]([O:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:19][cH:20]1
|
[O:1]=[C:2]([OH:3])[CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([O:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:19][cH:20]1
|
([O;D1;H0:1]=[C:2](-[OH;D1;+0:7])-[C:3]-[C:4]-[C;H0;D3;+0:5](=[O;D1;H0:6])-[c;H0;D3;+0:9](:[c:8]):[c:10])>>([O;D1;H0:1]=[C:2]1-[C:3]-[C:4]-[C;H0;D3;+0:5](=[O;D1;H0:6])-[O;H0;D2;+0:7]-1).([c:8]:[cH;D2;+0:9]:[c:10])
|
9bca92f9514e2f055bcdd7f1ea590b7f70cd2c02126a34591dc139ea
| 1 | 1 |
Cl.ClCCCl.[Al+3].[Cl-].[Cl-].[Cl-]
| 345 |
226,514 | 759,357 | 1,251,009 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([O:12][CH3:13])[C:6]([NH:14][C:15](=[O:19])OCC)=[N:5]2.[CH3:20][O:21][C:22]1[CH:27]=[CH:26][C:25]([N:28]2[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]2)=[CH:24][CH:23]=1>>[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([O:12][CH3:13])[C:6]([NH:14][C:15]([N:31]1[CH2:30][CH2:29][N:28]([C:25]3[CH:24]=[CH:23][C:22]([O:21][CH3:20])=[CH:27][CH:26]=3)[CH2:33][CH2:32]1)=[O:19])=[N:5]2
| null |
US08314100B2_0060
| 2,012 |
CCO[C:11](=[O:12])[NH:13][c:14]1[n:15][c:16]2[cH:17][c:18]([F:19])[cH:20][cH:21][c:22]2[n:23][c:24]1[O:25][CH3:26].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][NH:10][CH2:27][CH2:28]2)[cH:29][cH:30]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([C:11](=[O:12])[NH:13][c:14]3[n:15][c:16]4[cH:17][c:18]([F:19])[cH:20][cH:21][c:22]4[n:23][c:24]3[O:25][CH3:26])[CH2:27][CH2:28]2)[cH:29][cH:30]1
| 0.916484 |
CCOC(=O)Nc1nc2cc(F)ccc2nc1OC.COc1ccc(N2CCNCC2)cc1>>COc1ccc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)cc1
|
CCOC(=O)Nc1nc2cc(F)ccc2nc1OC.COc1ccc(N2CCNCC2)cc1>>COc1ccc(N2CCN(C(=O)Nc3nc4cc(F)ccc4nc3OC)CC2)cc1
|
US08314100B2_0060grants
|
9ba0cb9985eb1a8e30d85272ce23003c5f9c251783d4ade698b292d1
|
CCO[C:11](=[O:12])[NH:13][c:14]1[n:15][c:16]2[cH:17][c:18]([F:19])[cH:20][cH:21][c:22]2[n:23][c:24]1[O:25][CH3:26].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][NH:10][CH2:27][CH2:28]2)[cH:29][cH:30]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([C:11](=[O:12])[NH:13][c:14]3[n:15][c:16]4[cH:17][c:18]([F:19])[cH:20][cH:21][c:22]4[n:23][c:24]3[O:25][CH3:26])[CH2:27][CH2:28]2)[cH:29][cH:30]1
|
([#7:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(C-C-O-[C;H0;D3;+0:1](-[#7:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
0ce405ae9f6740f12f87ad2b682774cf25f6af46d02f7b894c64c58b
| 1 | 1 | null | 613 |
328,017 | 1,064,364 | 1,807,689 |
[CH:1]1([O:7][C:8]2[N:13]=[C:12]([C@H:14]([OH:18])[CH2:15][C:16]#[N:17])[CH:11]=[CH:10][CH:9]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.N.CO.C(Cl)Cl>>[NH2:17][CH2:16][CH2:15][C@H:14]([C:12]1[CH:11]=[CH:10][CH:9]=[C:8]([O:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[N:13]=1)[OH:18]
|
|f:1.2.3|
|
US09447078B2_0962
| 2,016 |
CO.ClCCl.N.[N:1]#[C:2][CH2:3][C@@H:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[n:18]1>>[NH2:1][CH2:2][CH2:3][C@@H:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[n:18]1
| 0.950642 |
CO~ClCCl~N.N#CC[C@@H](O)c1cccc(OC2CCCCC2)n1>>NCC[C@@H](O)c1cccc(OC2CCCCC2)n1
|
CO.ClCCl.N.N#CC[C@@H](O)c1cccc(OC2CCCCC2)n1>>NCC[C@@H](O)c1cccc(OC2CCCCC2)n1
|
US09447078B2_0962grants
|
2ae6483a220431404406f6ad7b94e17240fae9f5484c943ffb01905a
|
CO.ClCCl.N.[N:1]#[C:2][CH2:3][C@@H:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[n:18]1
|
[NH2:1][CH2:2][CH2:3][C@@H:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][c:10]([O:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[n:18]1
|
([C:1]-[CH2;D2;+0:2]-[NH2;D1;+0:3])>>([C:1]-[C;H0;D2;+0:2]#[N;H0;D1;+0:3])
|
a6a560e6a4e37275ec6c4d64bf3e0ca249f135b1541102f34f75dc07
| 1 | 1 |
CO.ClCCl.N
| 246 |
156,892 | 557,035 | 930,714 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]([CH2:17][CH2:18][N:19]2[CH2:24][CH2:23][N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20]2)[S:9]1(=[O:33])=[O:32].Cl>ClCCl.O1CCOCC1>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=2[N:10]([CH2:17][CH2:18][N:19]2[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]2)[S:9]1(=[O:32])=[O:33]
| null |
US07601722B2_1568
| 2,009 |
C1COCCO1.CC(C)(C)OC(=O)[N:10]1[CH2:9][CH2:8][N:7]([CH2:6][CH2:5][N:4]2[S:2](=[O:1])(=[O:3])[N:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[Cl:26])[c:18]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[CH2:12][CH2:11]1.Cl.ClCCl>>[O:1]=[S:2]1(=[O:3])[N:4]([CH2:5][CH2:6][N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[N:19]1[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[Cl:26]
| 0.528321 |
C1COCCO1.CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3ccccc3Cl)S2(=O)=O)CC1.Cl.ClCCl>>O=S1(=O)N(CCN2CCNCC2)c2ccccc2N1c1ccccc1Cl
|
C1COCCO1.CC(C)(C)OC(=O)N1CCN(CCN2c3ccccc3N(c3ccccc3Cl)S2(=O)=O)CC1.Cl.ClCCl>>O=S1(=O)N(CCN2CCNCC2)c2ccccc2N1c1ccccc1Cl
|
US07601722B2_1568grants
|
233d17c5c5b11f580a5465e28cfa4ddc3356e63cf7bddd5f4d10847b
|
C1COCCO1.CC(C)(C)OC(=O)[N:10]1[CH2:9][CH2:8][N:7]([CH2:6][CH2:5][N:4]2[S:2](=[O:1])(=[O:3])[N:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[Cl:26])[c:18]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[CH2:12][CH2:11]1.Cl.ClCCl
|
[O:1]=[S:2]1(=[O:3])[N:4]([CH2:5][CH2:6][N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[N:19]1[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[Cl:26]
|
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
|
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
| 1 | 1 |
C1COCCO1.Cl.ClCCl
| 575 |
39,934 | 178,270 | 286,474 |
[CH:1]([C:3]1[CH:10]=[CH:9][C:6]([CH:7]=[O:8])=[CH:5][CH:4]=1)=[CH2:2].[CH2:11](O)[CH2:12][OH:13].C1(C)C=CC=CC=1>C1(C)C=CC(S(O)(=O)=O)=CC=1.O>[CH:1]([C:3]1[CH:10]=[CH:9][C:6]([CH:7]2[O:13][CH2:12][CH2:11][O:8]2)=[CH:5][CH:4]=1)=[CH2:2]
| null |
US05274060_
| 1,993 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O.O[CH2:9][CH2:10][OH:11].[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:12][cH:13]1>>[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([CH:7]2[O:8][CH2:9][CH2:10][O:11]2)[cH:12][cH:13]1
| 0.472156 |
C=Cc1ccc(C=O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O.OCCO>>C=Cc1ccc(C2OCCO2)cc1
|
C=Cc1ccc(C=O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O.OCCO>>C=Cc1ccc(C2OCCO2)cc1
|
US05274060_grants
|
042da49ef2f3bc5b09437ca65db26c311e6d61162033b8df36469518
|
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O.O[CH2:9][CH2:10][OH:11].[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:12][cH:13]1
|
[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([CH:7]2[O:8][CH2:9][CH2:10][O:11]2)[cH:12][cH:13]1
|
([c:6]-[CH;D3;+0:5]1-[O;H0;D2;+0:3]-[C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:4]-1)>>(O-[CH2;D2;+0:1]-[C:2]-[OH;D1;+0:3]).([O;H0;D1;+0:4]=[CH;D2;+0:5]-[c:6])
|
5ae1b09623a44f8e6f31eee3ffed49bd100521adaf5ad06580aa3f08
| 1 | 1 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O
| 117 |
214,266 | 722,027 | 1,188,763 |
[CH2:1]([C:3]1[N:7]([C:8]2[N:16]=[C:15]3[C:11]([N:12]=[C:13]([CH:18]=O)[N:14]3[CH3:17])=[C:10]([N:20]3[CH2:25][CH2:24][O:23][CH2:22][CH2:21]3)[N:9]=2)[C:6]2[CH:26]=[CH:27][CH:28]=[CH:29][C:5]=2[N:4]=1)[CH3:2].[NH:30]1[CH2:33][CH:32]([N:34]2[CH2:39][CH2:38][N:37]([CH3:40])[C:36](=[O:41])[CH2:35]2)[CH2:31]1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCCl>[CH2:1]([C:3]1[N:7]([C:8]2[N:16]=[C:15]3[C:11]([N:12]=[C:13]([CH2:18][N:30]4[CH2:31][CH:32]([N:34]5[CH2:39][CH2:38][N:37]([CH3:40])[C:36](=[O:41])[CH2:35]5)[CH2:33]4)[N:14]3[CH3:17])=[C:10]([N:20]3[CH2:25][CH2:24][O:23][CH2:22][CH2:21]3)[N:9]=2)[C:6]2[CH:26]=[CH:27][CH:28]=[CH:29][C:5]=2[N:4]=1)[CH3:2]
|
|f:2.3|
|
US08173650B2_1423
| 2,012 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.ClCCCl.O=[CH:24][c:23]1[n:22][c:21]2[c:14]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[n:13][c:12](-[n:11]3[c:3]([CH2:2][CH3:1])[n:4][c:5]4[cH:6][cH:7][cH:8][cH:9][c:10]43)[n:40][c:39]2[n:37]1[CH3:38].[NH:25]1[CH2:26][CH:27]([N:28]2[CH2:29][CH2:30][N:31]([CH3:32])[C:33](=[O:34])[CH2:35]2)[CH2:36]1.[Na+]>>[CH3:1][CH2:2][c:3]1[n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[n:11]1-[c:12]1[n:13][c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:21]2[n:22][c:23]([CH2:24][N:25]3[CH2:26][CH:27]([N:28]4[CH2:29][CH2:30][N:31]([CH3:32])[C:33](=[O:34])[CH2:35]4)[CH2:36]3)[n:37]([CH3:38])[c:39]2[n:40]1
| 0.828112 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=O)n(C)c2n1.CN1CCN(C2CNC2)CC1=O.ClCCCl>>CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(N4CCN(C)C(=O)C4)C3)n(C)c2n1
|
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=O)n(C)c2n1.CN1CCN(C2CNC2)CC1=O.ClCCCl.[Na+]>>CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(N4CCN(C)C(=O)C4)C3)n(C)c2n1
|
US08173650B2_1423grants
|
be884ab44e14e5edb873a5473a9982e79f28dd582cbf154c4d1e5ce1
|
CC(=O)O[BH-](OC(C)=O)OC(C)=O.ClCCCl.O=[CH:24][c:23]1[n:22][c:21]2[c:14]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[n:13][c:12](-[n:11]3[c:3]([CH2:2][CH3:1])[n:4][c:5]4[cH:6][cH:7][cH:8][cH:9][c:10]43)[n:40][c:39]2[n:37]1[CH3:38].[NH:25]1[CH2:26][CH:27]([N:28]2[CH2:29][CH2:30][N:31]([CH3:32])[C:33](=[O:34])[CH2:35]2)[CH2:36]1.[Na+]
|
[CH3:1][CH2:2][c:3]1[n:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[n:11]1-[c:12]1[n:13][c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:21]2[n:22][c:23]([CH2:24][N:25]3[CH2:26][CH:27]([N:28]4[CH2:29][CH2:30][N:31]([CH3:32])[C:33](=[O:34])[CH2:35]4)[CH2:36]3)[n:37]([CH3:38])[c:39]2[n:40]1
|
([#7;a:3]:[c:2](:[#7;a:4])-[CH2;D2;+0:1]-[N;H0;D3;+0:6](-[C:5])-[C:7])>>(O=[CH;D2;+0:1]-[c:2](:[#7;a:3]):[#7;a:4]).([C:5]-[NH;D2;+0:6]-[C:7])
|
fcaee47d1ab47ab16b0708785f29a10d7f009eafec5d990195ace37d
| 1 | 1 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.ClCCCl.[Na+]
| 944 |
6,300 | 32,545 | 49,247 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[O:13][CH2:14][CH3:15])[CH2:7][C:8]#[N:9])[CH3:2].N>[Ni].C(O)C>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH2:7][CH2:8][NH2:9])[CH:10]=[CH:11][C:12]=1[O:13][CH2:14][CH3:15])[CH3:2]
| null |
US04126615_
| 1,978 |
CCO.N.[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9]#[N:10])[cH:11][c:12]1[O:13][CH2:14][CH3:15].[Ni]>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][CH2:9][NH2:10])[cH:11][c:12]1[O:13][CH2:14][CH3:15]
| 0.942743 |
CCO.CCOc1ccc(CC#N)cc1OCC.N.[Ni]>>CCOc1ccc(CCN)cc1OCC
|
CCO.CCOc1ccc(CC#N)cc1OCC.N.[Ni]>>CCOc1ccc(CCN)cc1OCC
|
US04126615_grants
|
75c822a24e6aee68be3be540d94e7d90b79521e6e07e7c12c768a236
|
CCO.N.[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][C:9]#[N:10])[cH:11][c:12]1[O:13][CH2:14][CH3:15].[Ni]
|
[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][CH2:9][NH2:10])[cH:11][c:12]1[O:13][CH2:14][CH3:15]
|
([C:1]-[CH2;D2;+0:2]-[NH2;D1;+0:3])>>([C:1]-[C;H0;D2;+0:2]#[N;H0;D1;+0:3])
|
a6a560e6a4e37275ec6c4d64bf3e0ca249f135b1541102f34f75dc07
| 1 | 1 |
CCO.N.[Ni]
| 246 |
307,436 | 999,737 | 1,690,354 |
[C:1]12([C:11]3[CH:20]=[CH:19][C:14]([C:15](OC)=[O:16])=[CH:13][C:12]=3[O:21][CH:22]([CH3:24])[CH3:23])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.C12(C3C=C(/C=C/[N+]([O-])=O)C=CC=3OC(C)C)CC3CC(CC(C3)C1)C2>>[C:1]12([C:11]3[CH:20]=[CH:19][C:14]([CH2:15][OH:16])=[CH:13][C:12]=3[O:21][CH:22]([CH3:24])[CH3:23])[CH2:2][CH:3]3[CH2:9][CH:7]([CH2:6][CH:5]([CH2:4]3)[CH2:10]1)[CH2:8]2
| null |
US09181182B2_0484
| 2,015 |
CC(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1C12CC3CC(CC(C3)C1)C2.CO[C:8]([c:7]1[cH:6][c:5]([O:4][CH:2]([CH3:1])[CH3:3])[c:12]([C:13]23[CH2:14][CH:15]4[CH2:16][CH:17]([CH2:18][CH:19]([CH2:20]4)[CH2:21]2)[CH2:22]3)[cH:11][cH:10]1)=[O:9]>>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][c:7]([CH2:8][OH:9])[cH:10][cH:11][c:12]1[C:13]12[CH2:14][CH:15]3[CH2:16][CH:17]([CH2:18][CH:19]([CH2:20]3)[CH2:21]1)[CH2:22]2
| 0.129882 |
CC(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1C12CC3CC(CC(C3)C1)C2.COC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)c(OC(C)C)c1>>CC(C)Oc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2
|
CC(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1C12CC3CC(CC(C3)C1)C2.COC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)c(OC(C)C)c1>>CC(C)Oc1cc(CO)ccc1C12CC3CC(CC(C3)C1)C2
|
US09181182B2_0484grants
|
d410cfebe29ddaf20f63838a5d5f476e8989439e77afa468df025792
|
CC(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1C12CC3CC(CC(C3)C1)C2.CO[C:8]([c:7]1[cH:6][c:5]([O:4][CH:2]([CH3:1])[CH3:3])[c:12]([C:13]23[CH2:14][CH:15]4[CH2:16][CH:17]([CH2:18][CH:19]([CH2:20]4)[CH2:21]2)[CH2:22]3)[cH:11][cH:10]1)=[O:9]
|
[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][c:7]([CH2:8][OH:9])[cH:10][cH:11][c:12]1[C:13]12[CH2:14][CH:15]3[CH2:16][CH:17]([CH2:18][CH:19]([CH2:20]3)[CH2:21]1)[CH2:22]2
|
([OH;D1;+0:2]-[CH2;D2;+0:1]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)>>(C-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)
|
9837206e9cbc012a1b67dbe24ef91db70782b4def0fddc7be5dd9197
| 1 | 1 |
CC(C)Oc1ccc(/C=C/[N+](=O)[O-])cc1C12CC3CC(CC(C3)C1)C2
| 444 |
197,940 | 677,658 | 1,118,968 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:11])=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8].[F:12][C:13]([F:24])([F:23])[C:14]1[CH:15]=[C:16]([CH:20]=[CH:21][CH:22]=1)[C:17](Cl)=[O:18]>C1COCC1>[F:12][C:13]([F:23])([F:24])[C:14]1[CH:15]=[C:16]([CH:20]=[CH:21][CH:22]=1)[C:17]([NH:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:11])=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8])=[O:18]
| null |
US08030487B2_0148
| 2,011 |
C1CCOC1.Cl[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:19][c:20]1[C:21](=[O:22])[OH:23]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][c:20]1[C:21](=[O:22])[OH:23]
| 0.304818 |
C1CCOC1.Cc1ccc(N)cc1C(=O)O.O=C(Cl)c1cccc(C(F)(F)F)c1>>Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)O
|
C1CCOC1.Cc1ccc(N)cc1C(=O)O.O=C(Cl)c1cccc(C(F)(F)F)c1>>Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)O
|
US08030487B2_0148grants
|
9ae2a507f7ecd8e0acfc636715c6fd4132abb4c3524f73eed6a3b119
|
C1CCOC1.Cl[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:19][c:20]1[C:21](=[O:22])[OH:23]
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][c:20]1[C:21](=[O:22])[OH:23]
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[c:5])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[c:5])
|
81bbe9d480d200be1437e9ca625a57474abf80dfdc397cf8e383daca
| 1 | 1 |
C1CCOC1
| 11 |
62,448 | 263,359 | 445,674 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9](=[O:11])[CH3:10])[CH:5]=[C:6]([Cl:8])[CH:7]=1.CO[CH:14](OC)[N:15]([CH3:17])[CH3:16]>>[Cl:1][C:2]1[CH:3]=[C:4]([C:9](=[O:11])[CH:10]=[CH:14][N:15]([CH3:17])[CH3:16])[CH:5]=[C:6]([Cl:8])[CH:7]=1
| null |
US05945382_
| 1,999 |
CO[CH:4](OC)[N:2]([CH3:1])[CH3:3].[CH3:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([Cl:11])[cH:12][c:13]([Cl:14])[cH:15]1>>[CH3:1][N:2]([CH3:3])[CH:4]=[CH:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([Cl:11])[cH:12][c:13]([Cl:14])[cH:15]1
| 0.502738 |
CC(=O)c1cc(Cl)cc(Cl)c1.COC(OC)N(C)C>>CN(C)C=CC(=O)c1cc(Cl)cc(Cl)c1
|
CC(=O)c1cc(Cl)cc(Cl)c1.COC(OC)N(C)C>>CN(C)C=CC(=O)c1cc(Cl)cc(Cl)c1
|
US05945382_grants
|
09ebc78a95d192dff64eef7c761c5ce369487588c6ae297664bad952
|
CO[CH:4](OC)[N:2]([CH3:1])[CH3:3].[CH3:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([Cl:11])[cH:12][c:13]([Cl:14])[cH:15]1
|
[CH3:1][N:2]([CH3:3])[CH:4]=[CH:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([Cl:11])[cH:12][c:13]([Cl:14])[cH:15]1
|
([#7:2]-[CH;D2;+0:1]=[CH;D2;+0:3]-[C:4]=[O;D1;H0:5])>>(C-O-[CH;D3;+0:1](-[#7:2])-O-C).([CH3;D1;+0:3]-[C:4]=[O;D1;H0:5])
|
73279b55d80c28b655a16854b1be68ea517c76999c9eb27701fcbd23
| 1 | 1 | null | 576 |
287,412 | 937,393 | 1,572,594 |
[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([OH:9])=O)=[CH:5][CH:4]=1.C(N(CC)CC)C.F[P-](F)(F)(F)(F)F.CN(C)C(F)=[N+](C)C.[N:34]1[N:38]2[CH2:39][CH2:40][NH:41][CH2:42][C:37]2=[CH:36][C:35]=1[C:43]([O:45][CH2:46][CH3:47])=[O:44]>CN(C)C=O.O>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([C:7]([N:41]2[CH2:40][CH2:39][N:38]3[N:34]=[C:35]([C:43]([O:45][CH2:46][CH3:47])=[O:44])[CH:36]=[C:37]3[CH2:42]2)=[O:9])=[CH:10][CH:11]=1
|
|f:2.3|
|
US08946223B2_0544
| 2,015 |
CCN(CC)CC.CN(C)C(F)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[n:9]([n:10]1)[CH2:11][CH2:12][NH:13][CH2:24]2>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[n:9]([n:10]1)[CH2:11][CH2:12][N:13]([C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]1)[CH2:24]2
| 0.752799 |
CCN(CC)CC.CCOC(=O)c1cc2n(n1)CCNC2.CN(C)C(F)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.COc1ccc(C(=O)O)cc1.O>>CCOC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(OC)cc1)C2
|
CCN(CC)CC.CCOC(=O)c1cc2n(n1)CCNC2.CN(C)C(F)=[N+](C)C.CN(C)C=O.COc1ccc(C(=O)O)cc1.F[P-](F)(F)(F)(F)F.O>>CCOC(=O)c1cc2n(n1)CCN(C(=O)c1ccc(OC)cc1)C2
|
US08946223B2_0544grants
|
ae9dfadf015a85bc93882d0724f2033f40edcf4bff77ba31dd2bf55e
|
CCN(CC)CC.CN(C)C(F)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O.O[C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[n:9]([n:10]1)[CH2:11][CH2:12][NH:13][CH2:24]2
|
[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[n:9]([n:10]1)[CH2:11][CH2:12][N:13]([C:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([O:20][CH3:21])[cH:22][cH:23]1)[CH2:24]2
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
11438d3fa968bbd8c4f3372ffee303c561281eed4a1be36b1ce3c5b0
| 1 | 1 |
CCN(CC)CC.CN(C)C(F)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.O
| 44 |
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