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
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
221,000 | 742,073 | 1,222,277 |
[CH3:1][N:2]([N:4]=[N:5][C:6]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[S:8][C:7]=1[C:14]([O:16]C)=[O:15])[CH3:3].[OH-].[Na+]>CO>[CH3:3][N:2]([N:4]=[N:5][C:6]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[S:8][C:7]=1[C:14]([OH:16])=[O:15])[CH3:1]
|
|f:1.2|
|
US08258119B2_0179
| 2,012 |
CO.C[O:16][C:14]([c:13]1[c:6]([N:5]=[N:4][N:2]([CH3:1])[CH3:3])[cH:7][c:8]([N+:9](=[O:10])[O-:11])[s:12]1)=[O:15].[Na+].[OH-]>>[CH3:1][N:2]([CH3:3])[N:4]=[N:5][c:6]1[cH:7][c:8]([N+:9](=[O:10])[O-:11])[s:12][c:13]1[C:14](=[O:15])[OH:16]
| 0.613783 |
CO.COC(=O)c1sc([N+](=O)[O-])cc1N=NN(C)C.[Na+]~[OH-]>>CN(C)N=Nc1cc([N+](=O)[O-])sc1C(=O)O
|
CO.COC(=O)c1sc([N+](=O)[O-])cc1N=NN(C)C.[Na+].[OH-]>>CN(C)N=Nc1cc([N+](=O)[O-])sc1C(=O)O
|
US08258119B2_0179grants
|
668c7b48e0a964ea9d5180acb911445341e7303972f171b9e5a39630
|
CO.C[O:16][C:14]([c:13]1[c:6]([N:5]=[N:4][N:2]([CH3:1])[CH3:3])[cH:7][c:8]([N+:9](=[O:10])[O-:11])[s:12]1)=[O:15].[Na+].[OH-]
|
[CH3:1][N:2]([CH3:3])[N:4]=[N:5][c:6]1[cH:7][c:8]([N+:9](=[O:10])[O-:11])[s:12][c:13]1[C:14](=[O:15])[OH:16]
|
([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.[Na+].[OH-]
| 152 |
347,622 | 433,894 | null |
[CH:1]([S:4]([C:7]1[CH:34]=[CH:33][C:10]([CH2:11][NH:12][C:13]([C:15]2[C:16](=[O:32])[N:17]([C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([C:28]([F:31])([F:30])[F:29])[CH:23]=3)[C:18]([CH3:21])=[CH:19][CH:20]=2)=[O:14])=[CH:9][CH:8]=1)(=[O:6])=[O:5])([CH3:3])[CH3:2].C(O)(C(F)(F)F)=O.[I:42]N1C(=O)CCC1=O>C(Cl)Cl>[I:42][C:19]1[CH:20]=[C:15]([C:13]([NH:12][CH2:11][C:10]2[CH:9]=[CH:8][C:7]([S:4]([CH:1]([CH3:3])[CH3:2])(=[O:5])=[O:6])=[CH:34][CH:33]=2)=[O:14])[C:16](=[O:32])[N:17]([C:22]2[CH:27]=[CH:26][CH:25]=[C:24]([C:28]([F:31])([F:30])[F:29])[CH:23]=2)[C:18]=1[CH3:21]
| null |
US20070043036A1_0396
| 2,007 |
ClCCl.O=C(O)C(F)(F)F.O=C1CCC(=O)N1[I:4].[CH3:1][c:2]1[cH:3][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:21][cH:22]2)[c:23](=[O:24])[n:25]1-[c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([F:32])([F:33])[F:34])[cH:35]1>>[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:21][cH:22]2)[c:23](=[O:24])[n:25]1-[c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([F:32])([F:33])[F:34])[cH:35]1
| 0.103599 |
Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)C(C)C)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1.ClCCl.O=C(O)C(F)(F)F.O=C1CCC(=O)N1I>>Cc1c(I)cc(C(=O)NCc2ccc(S(=O)(=O)C(C)C)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
|
Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)C(C)C)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1.ClCCl.O=C(O)C(F)(F)F.O=C1CCC(=O)N1I>>Cc1c(I)cc(C(=O)NCc2ccc(S(=O)(=O)C(C)C)cc2)c(=O)n1-c1cccc(C(F)(F)F)c1
|
US20070043036A1_0396apps
|
f8137bd02a236b5b30a1663160b430a552012b588777058173a326e3
|
ClCCl.O=C(O)C(F)(F)F.O=C1CCC(=O)N1[I:4].[CH3:1][c:2]1[cH:3][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:21][cH:22]2)[c:23](=[O:24])[n:25]1-[c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([F:32])([F:33])[F:34])[cH:35]1
|
[CH3:1][c:2]1[c:3]([I:4])[cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:21][cH:22]2)[c:23](=[O:24])[n:25]1-[c:26]1[cH:27][cH:28][cH:29][c:30]([C:31]([F:32])([F:33])[F:34])[cH:35]1
|
([#7;a:2]:[c:3]:[c;H0;D3;+0:4](-[I;H0;D1;+0:1]):[c:5])>>(O=C1-C-C-C(=O)-N-1-[I;H0;D1;+0:1]).([#7;a:2]:[c:3]:[cH;D2;+0:4]:[c:5])
|
56b5ace5cd85b8278af5c5904e2e949ffa25e436cd71588ba261f265
| 1 | 1 |
ClCCl.O=C(O)C(F)(F)F
| 783 |
45,229 | 198,389 | 320,347 |
[NH:1]1[CH2:21][CH2:20][O:19][CH2:18][CH2:17][O:16][CH2:15][CH2:14][O:13][CH2:12][CH2:11][O:10][CH2:9][CH2:8][O:7][CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.[C:22]12([CH2:32][C:33](Cl)=[O:34])[CH2:31][CH:26]3[CH2:27][CH:28]([CH2:30][CH:24]([CH2:25]3)[CH2:23]1)[CH2:29]2>>[C:22]12([CH2:32][C:33]([N:1]3[CH2:21][CH2:20][O:19][CH2:18][CH2:17][O:16][CH2:15][CH2:14][O:13][CH2:12][CH2:11][O:10][CH2:9][CH2:8][O:7][CH2:6][CH2:5][O:4][CH2:3][CH2:2]3)=[O:34])[CH2:29][CH:28]3[CH2:27][CH:26]([CH2:25][CH:24]([CH2:30]3)[CH2:23]1)[CH2:31]2
| null |
US05445762_
| 1,995 |
Cl[C:2](=[O:1])[CH2:3][C:4]12[CH2:5][CH:6]3[CH2:7][CH:8]([CH2:9][CH:10]([CH2:11]3)[CH2:12]1)[CH2:13]2.[NH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[O:1]=[C:2]([CH2:3][C:4]12[CH2:5][CH:6]3[CH2:7][CH:8]([CH2:9][CH:10]([CH2:11]3)[CH2:12]1)[CH2:13]2)[N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1
| 0.239123 |
C1COCCOCCOCCOCCOCCOCCN1.O=C(Cl)CC12CC3CC(CC(C3)C1)C2>>O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCCOCCOCC1
|
C1COCCOCCOCCOCCOCCOCCN1.O=C(Cl)CC12CC3CC(CC(C3)C1)C2>>O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCOCCOCCOCC1
|
US05445762_grants
|
dc164254f05ea0dada8f4ebeb1c5408e054015e9fbb0913731a86fcf
|
Cl[C:2](=[O:1])[CH2:3][C:4]12[CH2:5][CH:6]3[CH2:7][CH:8]([CH2:9][CH:10]([CH2:11]3)[CH2:12]1)[CH2:13]2.[NH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1
|
[O:1]=[C:2]([CH2:3][C:4]12[CH2:5][CH:6]3[CH2:7][CH:8]([CH2:9][CH:10]([CH2:11]3)[CH2:12]1)[CH2:13]2)[N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH2:33][CH2:34]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
58bfc612ddb3c3923670b0fade9423da56792769e45e6b088debac9e
| 1 | 1 | null | 125 |
371,868 | 796,341 | null |
[Br:1][C:2]1[CH:21]=[CH:20][C:5]([O:6][C:7]2[N:14]=[C:13]([NH:15][CH2:16][CH2:17][O:18][CH3:19])[CH:12]=[CH:11][C:8]=2[C:9]#[N:10])=[CH:4][C:3]=1[CH:22]1OCC[O:23]1.Cl.O>C1COCC1>[Br:1][C:2]1[CH:21]=[CH:20][C:5]([O:6][C:7]2[N:14]=[C:13]([NH:15][CH2:16][CH2:17][O:18][CH3:19])[CH:12]=[CH:11][C:8]=2[C:9]#[N:10])=[CH:4][C:3]=1[CH:22]=[O:23]
| null |
US20090291917A1_1049
| 2,009 |
C1CCOC1.C1C[O:21][CH:20]([c:19]2[c:17]([Br:18])[cH:16][cH:15][c:14]([O:13][c:12]3[c:9]([C:10]#[N:11])[cH:8][cH:7][c:6]([NH:5][CH2:4][CH2:3][O:2][CH3:1])[n:23]3)[cH:22]2)O1.Cl.O>>[CH3:1][O:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([Br:18])[c:19]([CH:20]=[O:21])[cH:22]2)[n:23]1
| 0.80817 |
C1CCOC1.COCCNc1ccc(C#N)c(Oc2ccc(Br)c(C3OCCO3)c2)n1.Cl.O>>COCCNc1ccc(C#N)c(Oc2ccc(Br)c(C=O)c2)n1
|
C1CCOC1.COCCNc1ccc(C#N)c(Oc2ccc(Br)c(C3OCCO3)c2)n1.Cl.O>>COCCNc1ccc(C#N)c(Oc2ccc(Br)c(C=O)c2)n1
|
US20090291917A1_1049apps
|
40e7b9f25d3edead33da3529bcf33b9938c376bfe1efe54c5be7a67e
|
C1CCOC1.C1C[O:21][CH:20]([c:19]2[c:17]([Br:18])[cH:16][cH:15][c:14]([O:13][c:12]3[c:9]([C:10]#[N:11])[cH:8][cH:7][c:6]([NH:5][CH2:4][CH2:3][O:2][CH3:1])[n:23]3)[cH:22]2)O1.Cl.O
|
[CH3:1][O:2][CH2:3][CH2:4][NH:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([Br:18])[c:19]([CH:20]=[O:21])[cH:22]2)[n:23]1
|
([O;H0;D1;+0:1]=[CH;D2;+0:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)>>(C1-C-[O;H0;D2;+0:1]-[CH;D3;+0:2](-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2)-O-1)
|
260a276baaaafdec880b5432fe6997842a3d47310c01fb3061496f27
| 1 | 1 |
C1CCOC1.Cl.O
| 655 |
324,569 | 1,054,556 | 1,789,934 |
C([O:3][C:4]([C@@H:6]1[C@@H:8]([C:9](=[O:30])[NH:10][C@@H:11]([CH2:24][C:25]2[NH:29][CH:28]=[N:27][CH:26]=2)[C:12]([NH:14][C:15]2[C:20]([CH3:21])=[CH:19][C:18]([CH3:22])=[CH:17][C:16]=2[CH3:23])=[O:13])[O:7]1)=[O:5])C.[Li+].[OH-]>CO.O>[NH:29]1[C:25]([CH2:24][C@H:11]([NH:10][C:9]([C@H:8]2[O:7][C@@H:6]2[C:4]([OH:5])=[O:3])=[O:30])[C:12]([NH:14][C:15]2[C:16]([CH3:23])=[CH:17][C:18]([CH3:22])=[CH:19][C:20]=2[CH3:21])=[O:13])=[CH:26][N:27]=[CH:28]1
|
|f:1.2,3.4|
|
US09403843B2_0306
| 2,016 |
CC[O:25][C:23]([C@@H:22]1[C@@H:20]([C:18]([NH:17][C@H:10]([C:8]([NH:7][c:6]2[c:4]([CH3:5])[cH:3][c:2]([CH3:1])[cH:28][c:26]2[CH3:27])=[O:9])[CH2:11][c:12]2[cH:13][n:14][cH:15][nH:16]2)=[O:19])[O:21]1)=[O:24].CO.O.[Li+].[OH-]>>[CH3:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([NH:7][C:8](=[O:9])[C@H:10]([CH2:11][c:12]2[cH:13][n:14][cH:15][nH:16]2)[NH:17][C:18](=[O:19])[C@H:20]2[O:21][C@@H:22]2[C:23](=[O:24])[OH:25])[c:26]([CH3:27])[cH:28]1
| 0.643229 |
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1c(C)cc(C)cc1C.CO~O.[Li+]~[OH-]>>Cc1cc(C)c(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2O[C@@H]2C(=O)O)c(C)c1
|
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1c(C)cc(C)cc1C.CO.O.[Li+].[OH-]>>Cc1cc(C)c(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]2O[C@@H]2C(=O)O)c(C)c1
|
US09403843B2_0306grants
|
fde3d5b4b8e87a2dad4a13f64feae011a7024f5fd1160e5bed1177f8
|
CC[O:25][C:23]([C@@H:22]1[C@@H:20]([C:18]([NH:17][C@H:10]([C:8]([NH:7][c:6]2[c:4]([CH3:5])[cH:3][c:2]([CH3:1])[cH:28][c:26]2[CH3:27])=[O:9])[CH2:11][c:12]2[cH:13][n:14][cH:15][nH:16]2)=[O:19])[O:21]1)=[O:24].CO.O.[Li+].[OH-]
|
[CH3:1][c:2]1[cH:3][c:4]([CH3:5])[c:6]([NH:7][C:8](=[O:9])[C@H:10]([CH2:11][c:12]2[cH:13][n:14][cH:15][nH:16]2)[NH:17][C:18](=[O:19])[C@H:20]2[O:21][C@@H:22]2[C:23](=[O:24])[OH:25])[c:26]([CH3:27])[cH:28]1
|
([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.O.[Li+].[OH-]
| 7 |
71,925 | 296,659 | 502,964 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:29]=[C:30]([O:34][CH3:35])[C:31]=1[O:32][CH3:33])[C:6]([N:8]1[CH2:13][CH2:12][CH2:11][C:10]([C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[C:23]([Cl:28])[CH:22]=2)([CH2:14][CH2:15]OS(C)(=O)=O)[CH2:9]1)=[O:7].[CH2:36]([O:38][CH2:39][CH2:40][N:41]1[C:45]2[CH:46]=[CH:47][CH:48]=[CH:49][C:44]=2[N:43]=[C:42]1[N:50]1[CH2:56][CH2:55][CH2:54][NH:53][CH2:52][CH2:51]1)[CH3:37].C(N(CC)C(C)C)(C)C.CO>C(#N)C>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:29]=[C:30]([O:34][CH3:35])[C:31]=1[O:32][CH3:33])[C:6]([N:8]1[CH2:13][CH2:12][CH2:11][C:10]([CH2:14][CH2:15][N:53]2[CH2:54][CH2:55][CH2:56][N:50]([C:42]3[N:41]([CH2:40][CH2:39][O:38][CH2:36][CH3:37])[C:45]4[CH:46]=[CH:47][CH:48]=[CH:49][C:44]=4[N:43]=3)[CH2:51][CH2:52]2)([C:21]2[CH:26]=[CH:25][C:24]([Cl:27])=[C:23]([Cl:28])[CH:22]=2)[CH2:9]1)=[O:7]
| null |
US06194406B1_
| 2,001 |
CC#N.CCN(C(C)C)C(C)C.CO.CS(=O)(=O)O[CH2:13][CH2:14][C:15]1([c:16]2[cH:17][cH:18][c:19]([Cl:20])[c:21]([Cl:22])[cH:23]2)[CH2:24][CH2:25][CH2:26][N:27]([C:28](=[O:29])[c:30]2[cH:31][c:32]([O:33][CH3:34])[c:35]([O:36][CH3:37])[c:38]([O:39][CH3:40])[cH:41]2)[CH2:42]1.[CH3:1][CH2:2][O:3][CH2:4][CH2:5][n:6]1[c:7]([N:8]2[CH2:9][CH2:10][CH2:11][NH:12][CH2:43][CH2:44]2)[n:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]12>>[CH3:1][CH2:2][O:3][CH2:4][CH2:5][n:6]1[c:7]([N:8]2[CH2:9][CH2:10][CH2:11][N:12]([CH2:13][CH2:14][C:15]3([c:16]4[cH:17][cH:18][c:19]([Cl:20])[c:21]([Cl:22])[cH:23]4)[CH2:24][CH2:25][CH2:26][N:27]([C:28](=[O:29])[c:30]4[cH:31][c:32]([O:33][CH3:34])[c:35]([O:36][CH3:37])[c:38]([O:39][CH3:40])[cH:41]4)[CH2:42]3)[CH2:43][CH2:44]2)[n:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]12
| 0.50006 |
CC#N.CCN(C(C)C)C(C)C.CCOCCn1c(N2CCCNCC2)nc2ccccc21.CO.COc1cc(C(=O)N2CCCC(CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC>>CCOCCn1c(N2CCCN(CCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21
|
CC#N.CCN(C(C)C)C(C)C.CCOCCn1c(N2CCCNCC2)nc2ccccc21.CO.COc1cc(C(=O)N2CCCC(CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC>>CCOCCn1c(N2CCCN(CCC3(c4ccc(Cl)c(Cl)c4)CCCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21
|
US06194406B1_grants
|
9e25dd569682d7622d39e86290b3f80eaa4de44fbf8150164ddbafe4
|
CC#N.CCN(C(C)C)C(C)C.CO.CS(=O)(=O)O[CH2:13][CH2:14][C:15]1([c:16]2[cH:17][cH:18][c:19]([Cl:20])[c:21]([Cl:22])[cH:23]2)[CH2:24][CH2:25][CH2:26][N:27]([C:28](=[O:29])[c:30]2[cH:31][c:32]([O:33][CH3:34])[c:35]([O:36][CH3:37])[c:38]([O:39][CH3:40])[cH:41]2)[CH2:42]1.[CH3:1][CH2:2][O:3][CH2:4][CH2:5][n:6]1[c:7]([N:8]2[CH2:9][CH2:10][CH2:11][NH:12][CH2:43][CH2:44]2)[n:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]12
|
[CH3:1][CH2:2][O:3][CH2:4][CH2:5][n:6]1[c:7]([N:8]2[CH2:9][CH2:10][CH2:11][N:12]([CH2:13][CH2:14][C:15]3([c:16]4[cH:17][cH:18][c:19]([Cl:20])[c:21]([Cl:22])[cH:23]4)[CH2:24][CH2:25][CH2:26][N:27]([C:28](=[O:29])[c:30]4[cH:31][c:32]([O:33][CH3:34])[c:35]([O:36][CH3:37])[c:38]([O:39][CH3:40])[cH:41]4)[CH2:42]3)[CH2:43][CH2:44]2)[n:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]12
|
([C:3]-[N;H0;D3;+0:4](-[C:5])-[CH2;D2;+0:1]-[C:2])>>(C-S(=O)(=O)-O-[CH2;D2;+0:1]-[C:2]).([C:3]-[NH;D2;+0:4]-[C:5])
|
a320ddb3757b01284fda83a0e3c578c5f2f64f0ce6fab4668551b443
| 0.2 | 5 |
CC#N.CCN(C(C)C)C(C)C.CO
| 496 |
95,238 | 370,709 | 632,605 |
CCN=C=NCCCN(C)C.Cl.[Cl:13][C:14]1[CH:15]=[C:16]([N:21]2[C:25](=[O:26])[N:24]3[CH2:27][CH:28]([OH:30])[CH2:29][N:23]3[C:22]2=[O:31])[CH:17]=[C:18]([Cl:20])[CH:19]=1.[Br:32][C:33]1[CH:41]=[CH:40][C:36]([C:37](O)=[O:38])=[CH:35][CH:34]=1>CN(C1C=CN=CC=1)C.C(Cl)Cl>[Cl:20][C:18]1[CH:17]=[C:16]([N:21]2[C:22](=[O:31])[N:23]3[CH2:29][CH:28]([O:30][C:37](=[O:38])[C:36]4[CH:40]=[CH:41][C:33]([Br:32])=[CH:34][CH:35]=4)[CH2:27][N:24]3[C:25]2=[O:26])[CH:15]=[C:14]([Cl:13])[CH:19]=1
| null |
US06673825B2_
| 2,004 |
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.O[C:2](=[O:1])[c:22]1[cH:23][cH:24][c:25]([Br:26])[cH:27][cH:28]1.[OH:3][CH:4]1[CH2:5][n:6]2[c:7](=[O:8])[n:9](-[c:10]3[cH:11][c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17]3)[c:18](=[O:19])[n:20]2[CH2:21]1>>[O:1]=[C:2]([O:3][CH:4]1[CH2:5][n:6]2[c:7](=[O:8])[n:9](-[c:10]3[cH:11][c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17]3)[c:18](=[O:19])[n:20]2[CH2:21]1)[c:22]1[cH:23][cH:24][c:25]([Br:26])[cH:27][cH:28]1
| 0.678075 |
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.O=C(O)c1ccc(Br)cc1.O=c1n(-c2cc(Cl)cc(Cl)c2)c(=O)n2n1CC(O)C2>>O=C(OC1Cn2c(=O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1)c1ccc(Br)cc1
|
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.O=C(O)c1ccc(Br)cc1.O=c1n(-c2cc(Cl)cc(Cl)c2)c(=O)n2n1CC(O)C2>>O=C(OC1Cn2c(=O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1)c1ccc(Br)cc1
|
US06673825B2_grants
|
c178943dc4fe0aa9d87900c729468bb2422700a1f23be8d8dddd17dd
|
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl.O[C:2](=[O:1])[c:22]1[cH:23][cH:24][c:25]([Br:26])[cH:27][cH:28]1.[OH:3][CH:4]1[CH2:5][n:6]2[c:7](=[O:8])[n:9](-[c:10]3[cH:11][c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17]3)[c:18](=[O:19])[n:20]2[CH2:21]1
|
[O:1]=[C:2]([O:3][CH:4]1[CH2:5][n:6]2[c:7](=[O:8])[n:9](-[c:10]3[cH:11][c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17]3)[c:18](=[O:19])[n:20]2[CH2:21]1)[c:22]1[cH:23][cH:24][c:25]([Br:26])[cH:27][cH:28]1
|
([C:4]-[O;H0;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]-[OH;D1;+0:5])
|
462ff262701550e8361ae350b730fe337624136bbbc825e08432a1b4
| 1 | 1 |
CCN=C=NCCCN(C)C.CN(C)c1ccncc1.Cl.ClCCl
| 33 |
226,125 | 757,923 | 1,248,586 |
Cl[C:2]1[C:7]([C:8]2[N:12]([CH2:13][CH:14]3[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]3)[C:11]3[CH:20]=[C:21]([F:25])[C:22]([F:24])=[CH:23][C:10]=3[N:9]=2)=[CH:6][CH:5]=[CH:4][N:3]=1.[Cl:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[CH2:33][OH:34]>>[Cl:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[CH2:33][O:34][C:2]1[C:7]([C:8]2[N:12]([CH2:13][CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]3)[C:11]3[CH:20]=[C:21]([F:25])[C:22]([F:24])=[CH:23][C:10]=3[N:9]=2)=[CH:6][CH:5]=[CH:4][N:3]=1
| null |
US08309581B2_0411
| 2,012 |
Cl[c:12]1[c:7](-[c:6]2[n:5][c:4]3[cH:3][c:2]([F:1])[c:32]([F:33])[cH:31][c:30]3[n:22]2[CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:8][cH:9][cH:10][n:11]1.[OH:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][c:20]1[Cl:21]>>[F:1][c:2]1[cH:3][c:4]2[n:5][c:6](-[c:7]3[cH:8][cH:9][cH:10][n:11][c:12]3[O:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[Cl:21])[n:22]([CH2:23][CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[c:30]2[cH:31][c:32]1[F:33]
| 0.95457 |
Fc1cc2nc(-c3cccnc3Cl)n(CC3CCCCC3)c2cc1F.OCc1ccccc1Cl>>Fc1cc2nc(-c3cccnc3OCc3ccccc3Cl)n(CC3CCCCC3)c2cc1F
|
Fc1cc2nc(-c3cccnc3Cl)n(CC3CCCCC3)c2cc1F.OCc1ccccc1Cl>>Fc1cc2nc(-c3cccnc3OCc3ccccc3Cl)n(CC3CCCCC3)c2cc1F
|
US08309581B2_0411grants
|
eec6f60e3dfaac117e9c0d836168adfa046778870600d49cbcac498b
|
Cl[c:12]1[c:7](-[c:6]2[n:5][c:4]3[cH:3][c:2]([F:1])[c:32]([F:33])[cH:31][c:30]3[n:22]2[CH2:23][CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[cH:8][cH:9][cH:10][n:11]1.[OH:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][c:20]1[Cl:21]
|
[F:1][c:2]1[cH:3][c:4]2[n:5][c:6](-[c:7]3[cH:8][cH:9][cH:10][n:11][c:12]3[O:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[Cl:21])[n:22]([CH2:23][CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[c:30]2[cH:31][c:32]1[F:33]
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[O;H0;D2;+0:5]-[C:4])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[OH;D1;+0:5])
|
10907cd3c67b89554bc459401febf504bb2680a0918b9d386f58414c
| 1 | 1 | null | 433 |
305,845 | 994,255 | 1,678,870 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3](/[CH:10]=[C:11]2\[O:12][C:13]3[C:20](/[CH:21]=[CH:22]\[CH2:23][CH2:24][N:25]4[CH2:30][CH2:29][N:28](C(OC(C)(C)C)=O)[CH2:27][CH2:26]4)=[C:19]([O:38][CH3:39])[CH:18]=[CH:17][C:14]=3[C:15]\2=[O:16])=[N:2]1.Cl>C(Cl)Cl.O1CCOCC1>[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3](/[CH:10]=[C:11]2\[O:12][C:13]3[C:20](/[CH:21]=[CH:22]\[CH2:23][CH2:24][N:25]4[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]4)=[C:19]([O:38][CH3:39])[CH:18]=[CH:17][C:14]=3[C:15]\2=[O:16])=[N:2]1
| null |
US09156827B2_0863
| 2,015 |
C1COCCO1.CC(C)(C)OC(=O)[N:16]1[CH2:15][CH2:14][N:13]([CH2:12][CH2:11]/[CH:10]=[CH:9]\[c:8]2[c:3]([O:2][CH3:1])[cH:4][cH:5][c:6]3[c:7]2[O:19]/[C:20](=[CH:21]\[c:22]2[n:23][nH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]24)[C:31]3=[O:32])[CH2:18][CH2:17]1.Cl.ClCCl>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]1/[CH:9]=[CH:10]\[CH2:11][CH2:12][N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1)[O:19]/[C:20](=[CH:21]\[c:22]1[n:23][nH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]13)[C:31]2=[O:32]
| 0.956357 |
C1COCCO1.COc1ccc2c(c1/C=C\CCN1CCN(C(=O)OC(C)(C)C)CC1)O/C(=C\c1n[nH]c3ccccc13)C2=O.Cl.ClCCl>>COc1ccc2c(c1/C=C\CCN1CCNCC1)O/C(=C\c1n[nH]c3ccccc13)C2=O
|
C1COCCO1.COc1ccc2c(c1/C=C\CCN1CCN(C(=O)OC(C)(C)C)CC1)O/C(=C\c1n[nH]c3ccccc13)C2=O.Cl.ClCCl>>COc1ccc2c(c1/C=C\CCN1CCNCC1)O/C(=C\c1n[nH]c3ccccc13)C2=O
|
US09156827B2_0863grants
|
9acb0f8ece277823e9498d25f8275aa8db960736b140a98cc6e6c727
|
C1COCCO1.CC(C)(C)OC(=O)[N:16]1[CH2:15][CH2:14][N:13]([CH2:12][CH2:11]/[CH:10]=[CH:9]\[c:8]2[c:3]([O:2][CH3:1])[cH:4][cH:5][c:6]3[c:7]2[O:19]/[C:20](=[CH:21]\[c:22]2[n:23][nH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]24)[C:31]3=[O:32])[CH2:18][CH2:17]1.Cl.ClCCl
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]1/[CH:9]=[CH:10]\[CH2:11][CH2:12][N:13]1[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1)[O:19]/[C:20](=[CH:21]\[c:22]1[n:23][nH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]13)[C:31]2=[O:32]
|
([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 |
144,299 | 518,113 | 868,783 |
[CH:1]([N:4]1[CH2:9][CH2:8][CH:7]([O:10][C:11]2[CH:16]=[CH:15][C:14]([C:17]3([C:23]([OH:25])=O)[CH2:22][CH2:21][O:20][CH2:19][CH2:18]3)=[CH:13][CH:12]=2)[CH2:6][CH2:5]1)([CH3:3])[CH3:2].[CH3:26][N:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1>>[CH:1]([N:4]1[CH2:9][CH2:8][CH:7]([O:10][C:11]2[CH:12]=[CH:13][C:14]([C:17]3([C:23]([N:30]4[CH2:31][CH2:32][N:27]([CH3:26])[CH2:28][CH2:29]4)=[O:25])[CH2:22][CH2:21][O:20][CH2:19][CH2:18]3)=[CH:15][CH:16]=2)[CH2:6][CH2:5]1)([CH3:2])[CH3:3]
| null |
US07456164B2_0943
| 2,008 |
O[C:14]([C:13]1([c:12]2[cH:11][cH:10][c:9]([O:8][CH:7]3[CH2:6][CH2:5][N:4]([CH:2]([CH3:1])[CH3:3])[CH2:31][CH2:30]3)[cH:29][cH:28]2)[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1)=[O:15].[NH:16]1[CH2:17][CH2:18][N:19]([CH3:20])[CH2:21][CH2:22]1>>[CH3:1][CH:2]([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([O:8][c:9]2[cH:10][cH:11][c:12]([C:13]3([C:14](=[O:15])[N:16]4[CH2:17][CH2:18][N:19]([CH3:20])[CH2:21][CH2:22]4)[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:28][cH:29]2)[CH2:30][CH2:31]1
| 0.691658 |
CC(C)N1CCC(Oc2ccc(C3(C(=O)O)CCOCC3)cc2)CC1.CN1CCNCC1>>CC(C)N1CCC(Oc2ccc(C3(C(=O)N4CCN(C)CC4)CCOCC3)cc2)CC1
|
CC(C)N1CCC(Oc2ccc(C3(C(=O)O)CCOCC3)cc2)CC1.CN1CCNCC1>>CC(C)N1CCC(Oc2ccc(C3(C(=O)N4CCN(C)CC4)CCOCC3)cc2)CC1
|
US07456164B2_0943grants
|
d52a7a2d41930e44ef8b8ae3c06698f92c1049725b4a818e71797472
|
O[C:14]([C:13]1([c:12]2[cH:11][cH:10][c:9]([O:8][CH:7]3[CH2:6][CH2:5][N:4]([CH:2]([CH3:1])[CH3:3])[CH2:31][CH2:30]3)[cH:29][cH:28]2)[CH2:23][CH2:24][O:25][CH2:26][CH2:27]1)=[O:15].[NH:16]1[CH2:17][CH2:18][N:19]([CH3:20])[CH2:21][CH2:22]1
|
[CH3:1][CH:2]([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([O:8][c:9]2[cH:10][cH:11][c:12]([C:13]3([C:14](=[O:15])[N:16]4[CH2:17][CH2:18][N:19]([CH3:20])[CH2:21][CH2:22]4)[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:28][cH:29]2)[CH2:30][CH2:31]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 | null | 146 |
48,139 | 210,339 | 339,979 |
C([N:4]([C:11]1[CH:16]=[CH:15][C:14]([C:17]2[O:18][C:19]3[C:27]([F:28])=[CH:26][C:25]([F:29])=[C:24]([NH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[C:20]=3[C:21](=[O:23])[CH:22]=2)=[CH:13][C:12]=1[F:36])[CH2:5][CH2:6][CH2:7][N:8]=[N+:9]=[N-:10])(=O)C.O>O1CCOCC1.Cl>[N:8]([CH2:7][CH2:6][CH2:5][NH:4][C:11]1[CH:16]=[CH:15][C:14]([C:17]2[O:18][C:19]3[C:27]([F:28])=[CH:26][C:25]([F:29])=[C:24]([NH:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[C:20]=3[C:21](=[O:23])[CH:22]=2)=[CH:13][C:12]=1[F:36])=[N+:9]=[N-:10]
| null |
US05539112_
| 1,996 |
C1COCCO1.CC(=O)[N:20]([c:19]1[cH:18][cH:17][c:16](-[c:15]2[o:14][c:13]3[c:11]([F:12])[cH:10][c:8]([F:9])[c:7]([NH:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[c:33]3[c:31](=[O:32])[cH:30]2)[cH:29][c:27]1[F:28])[CH2:21][CH2:22][CH2:23][N:24]=[N+:25]=[N-:26].Cl.O>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][c:7]1[c:8]([F:9])[cH:10][c:11]([F:12])[c:13]2[o:14][c:15](-[c:16]3[cH:17][cH:18][c:19]([NH:20][CH2:21][CH2:22][CH2:23][N:24]=[N+:25]=[N-:26])[c:27]([F:28])[cH:29]3)[cH:30][c:31](=[O:32])[c:33]12
| 0.970393 |
C1COCCO1.CCCCCNc1c(F)cc(F)c2oc(-c3ccc(N(CCCN=[N+]=[N-])C(C)=O)c(F)c3)cc(=O)c12.Cl.O>>CCCCCNc1c(F)cc(F)c2oc(-c3ccc(NCCCN=[N+]=[N-])c(F)c3)cc(=O)c12
|
C1COCCO1.CCCCCNc1c(F)cc(F)c2oc(-c3ccc(N(CCCN=[N+]=[N-])C(C)=O)c(F)c3)cc(=O)c12.Cl.O>>CCCCCNc1c(F)cc(F)c2oc(-c3ccc(NCCCN=[N+]=[N-])c(F)c3)cc(=O)c12
|
US05539112_grants
|
943227cd40caa3cb6c49ff04a1bf6c233303c42b4811b74dd70d779f
|
C1COCCO1.CC(=O)[N:20]([c:19]1[cH:18][cH:17][c:16](-[c:15]2[o:14][c:13]3[c:11]([F:12])[cH:10][c:8]([F:9])[c:7]([NH:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[c:33]3[c:31](=[O:32])[cH:30]2)[cH:29][c:27]1[F:28])[CH2:21][CH2:22][CH2:23][N:24]=[N+:25]=[N-:26].Cl.O
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][c:7]1[c:8]([F:9])[cH:10][c:11]([F:12])[c:13]2[o:14][c:15](-[c:16]3[cH:17][cH:18][c:19]([NH:20][CH2:21][CH2:22][CH2:23][N:24]=[N+:25]=[N-:26])[c:27]([F:28])[cH:29]3)[cH:30][c:31](=[O:32])[c:33]12
|
([C:2]-[NH;D2;+0:1]-[c:3])>>(C-C(=O)-[N;H0;D3;+0:1](-[C:2])-[c:3])
|
166a34e5312e3cfae8e9633cfad030bf83e0b45474c0ef71c0ffebef
| 0.5 | 2 |
C1COCCO1.Cl.O
| 504 |
201,047 | 685,569 | 1,132,104 |
CC1C=C(N2CCN(CC3C=CC(C(F)(F)F)=CC=3)C2=O)SC=1C(O)=O.[CH2:27]([NH:34][C:35]([C:37]1[S:41][C:40]([N:42]2[CH2:46][CH2:45][N:44]([CH2:47][C:48]([OH:50])=O)[C:43]2=[O:51])=[N:39][C:38]=1[CH3:52])=[O:36])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.[F:53][C:54]1[CH:61]=[CH:60][C:57]([CH2:58][NH2:59])=[CH:56][CH:55]=1>>[CH2:27]([NH:34][C:35]([C:37]1[S:41][C:40]([N:42]2[CH2:46][CH2:45][N:44]([CH2:47][C:48]([NH:59][CH2:58][C:57]3[CH:60]=[CH:61][C:54]([F:53])=[CH:55][CH:56]=3)=[O:50])[C:43]2=[O:51])=[N:39][C:38]=1[CH3:52])=[O:36])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1
| null |
US08063084B2_1174
| 2,011 |
Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O.O[C:10]([CH2:9][N:8]1[CH2:7][CH2:6][N:5]([c:4]2[n:3][c:2]([CH3:1])[c:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[s:23]2)[C:21]1=[O:22])=[O:11].[NH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1>>[CH3:1][c:2]1[n:3][c:4]([N:5]2[CH2:6][CH2:7][N:8]([CH2:9][C:10](=[O:11])[NH:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]3)[C:21]2=[O:22])[s:23][c:24]1[C:25](=[O:26])[NH:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1
| 0.728389 |
Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O.Cc1nc(N2CCN(CC(=O)O)C2=O)sc1C(=O)NCc1ccccc1.NCc1ccc(F)cc1>>Cc1nc(N2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)sc1C(=O)NCc1ccccc1
|
Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O.Cc1nc(N2CCN(CC(=O)O)C2=O)sc1C(=O)NCc1ccccc1.NCc1ccc(F)cc1>>Cc1nc(N2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)sc1C(=O)NCc1ccccc1
|
US08063084B2_1174grants
|
860c489a941595c9ecf24f6ea2a039d9fe95a9d26d31326b9cd32f8e
|
Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O.O[C:10]([CH2:9][N:8]1[CH2:7][CH2:6][N:5]([c:4]2[n:3][c:2]([CH3:1])[c:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[s:23]2)[C:21]1=[O:22])=[O:11].[NH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1
|
[CH3:1][c:2]1[n:3][c:4]([N:5]2[CH2:6][CH2:7][N:8]([CH2:9][C:10](=[O:11])[NH:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]3)[C:21]2=[O:22])[s:23][c:24]1[C:25](=[O:26])[NH:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1
|
([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 |
Cc1cc(N2CCN(Cc3ccc(C(F)(F)F)cc3)C2=O)sc1C(=O)O
| 599 |
156,673 | 556,194 | 929,472 |
[OH:1][CH2:2][CH2:3][CH:4]1[CH2:9][CH2:8][CH:7]([OH:10])[CH2:6][CH2:5]1.[C:11]1([C:17](Cl)([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>N1C=CC=CC=1>[C:17]([O:1][CH2:2][CH2:3][CH:4]1[CH2:9][CH2:8][CH:7]([OH:10])[CH2:6][CH2:5]1)([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)([C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1)[C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1
| null |
US07598257B2_0842
| 2,009 |
Cl[C:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:6][CH2:7][OH:8])[CH2:28][CH2:29]1.c1ccncc1>>[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:6][CH2:7][O:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][CH2:29]1
| 0.18821 |
ClC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCC1CCC(O)CC1.c1ccncc1>>OC1CCC(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
|
ClC(c1ccccc1)(c1ccccc1)c1ccccc1.OCCC1CCC(O)CC1.c1ccncc1>>OC1CCC(CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
|
US07598257B2_0842grants
|
ecd816c4ec03211290d8797f8a7682b058fc7cae4556e6b91e242f70
|
Cl[C:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:6][CH2:7][OH:8])[CH2:28][CH2:29]1.c1ccncc1
|
[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:6][CH2:7][O:8][C:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH2:28][CH2:29]1
|
([C:5]-[O;H0;D2;+0:6]-[C;H0;D4;+0:1](-[c:2])(-[c:3])-[c:4])>>(Cl-[C;H0;D4;+0:1](-[c:2])(-[c:3])-[c:4]).([C:5]-[OH;D1;+0:6])
|
717bf7de7e9d2a619323767a974ed3e69ddbe66a0833178fec1b971a
| 1 | 1 |
c1ccncc1
| 250 |
106,212 | 404,219 | 690,212 |
[Cl:1][C:2]1[CH:11]=[C:10]([C:12]#[N:13])[CH:9]=[CH:8][C:3]=1[CH2:4][N:5]=[N+]=[N-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[OH-].[Na+]>C1COCC1.O>[Cl:1][C:2]1[CH:11]=[C:10]([C:12]#[N:13])[CH:9]=[CH:8][C:3]=1[CH2:4][NH2:5]
|
|f:2.3,4.5|
|
US06919347B2_0206
| 2,005 |
C1CCOC1.O.[N-]=[N+]=[N:8][CH2:7][c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:11][c:9]1[Cl:10].[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH2:8])[c:9]([Cl:10])[cH:11]1
| 0.994901 |
C1CCOC1~O.N#Cc1ccc(CN=[N+]=[N-])c(Cl)c1.[Na+]~[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>N#Cc1ccc(CN)c(Cl)c1
|
C1CCOC1.N#Cc1ccc(CN=[N+]=[N-])c(Cl)c1.O.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>N#Cc1ccc(CN)c(Cl)c1
|
US06919347B2_0206grants
|
082d902faaba2fbee1df770c639ea20e82e9f71147551b3995703bc7
|
C1CCOC1.O.[N-]=[N+]=[N:8][CH2:7][c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:11][c:9]1[Cl:10].[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
|
[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][NH2:8])[c:9]([Cl:10])[cH:11]1
|
([NH2;D1;+0:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)>>([N-]=[N+]=[N;H0;D2;+0:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)
|
40249e68358278d504131b6575e42710f2a18bfde5b872029b431d5d
| 1 | 1 |
C1CCOC1.O.[Na+].[OH-].c1ccc(P(c2ccccc2)c2ccccc2)cc1
| 562 |
139,340 | 503,884 | 846,560 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:8]3[CH2:15][CH:12]([CH2:13][CH:14]=2)[CH2:11][N:10](C(OCC)=O)[CH2:9]3)[CH:2]=1.Cl.[OH-].[Na+]>>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:8]3[CH2:15][CH:12]([CH2:13][CH:14]=2)[CH2:11][NH:10][CH2:9]3)[CH:2]=1
|
|f:2.3|
|
US07402592B2_0595
| 2,008 |
CCOC(=O)[N:11]1[CH2:10][CH:9]2[C:2]([c:3]3[cH:4][cH:5][cH:6][n:7][cH:8]3)=[CH:1][CH2:14][CH:13]([CH2:12]1)[CH2:15]2.Cl.[Na+].[OH-]>>[CH:1]1=[C:2]([c:3]2[cH:4][cH:5][cH:6][n:7][cH:8]2)[CH:9]2[CH2:10][NH:11][CH2:12][CH:13]([CH2:14]1)[CH2:15]2
| 0.977298 |
CCOC(=O)N1CC2CC=C(c3cccnc3)C(C2)C1.Cl.[Na+]~[OH-]>>C1=C(c2cccnc2)C2CNCC(C1)C2
|
CCOC(=O)N1CC2CC=C(c3cccnc3)C(C2)C1.Cl.[Na+].[OH-]>>C1=C(c2cccnc2)C2CNCC(C1)C2
|
US07402592B2_0595grants
|
14f583c70232d06791af884b115163109dc5ba959b963cbd3a341f2f
|
CCOC(=O)[N:11]1[CH2:10][CH:9]2[C:2]([c:3]3[cH:4][cH:5][cH:6][n:7][cH:8]3)=[CH:1][CH2:14][CH:13]([CH2:12]1)[CH2:15]2.Cl.[Na+].[OH-]
|
[CH:1]1=[C:2]([c:3]2[cH:4][cH:5][cH:6][n:7][cH:8]2)[CH:9]2[CH2:10][NH:11][CH2:12][CH:13]([CH2:14]1)[CH2:15]2
|
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
|
cb56e889c4d58493f51dcb909ba7fe2cb033e7b9cef243223f406e96
| 1 | 1 |
Cl.[Na+].[OH-]
| 283 |
307,672 | 1,000,584 | 1,692,162 |
[Br:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:13][CH2:12][C:11]([CH3:19])([C:14]([O:16]CC)=[O:15])[CH2:10][CH2:9]2)=[N:6][CH:7]=1.Cl>O1CCOCC1.C(=O)([O-])O.[Na+]>[Br:1][C:2]1[CH:3]=[N:4][C:5]([N:8]2[CH2:13][CH2:12][C:11]([CH3:19])([C:14]([OH:16])=[O:15])[CH2:10][CH2:9]2)=[N:6][CH:7]=1
|
|f:3.4|
|
US09181234B2_0342
| 2,015 |
C1COCCO1.CC[O:5][C:3]([C:2]1([CH3:1])[CH2:6][CH2:7][N:8]([c:9]2[n:10][cH:11][c:12]([Br:13])[cH:14][n:15]2)[CH2:16][CH2:17]1)=[O:4].Cl.O=C([O-])O.[Na+]>>[CH3:1][C:2]1([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][N:8]([c:9]2[n:10][cH:11][c:12]([Br:13])[cH:14][n:15]2)[CH2:16][CH2:17]1
| 0.921659 |
C1COCCO1.CCOC(=O)C1(C)CCN(c2ncc(Br)cn2)CC1.Cl.O=C([O-])O~[Na+]>>CC1(C(=O)O)CCN(c2ncc(Br)cn2)CC1
|
C1COCCO1.CCOC(=O)C1(C)CCN(c2ncc(Br)cn2)CC1.Cl.O=C([O-])O.[Na+]>>CC1(C(=O)O)CCN(c2ncc(Br)cn2)CC1
|
US09181234B2_0342grants
|
51d8c9bc4fc8ad8d78a315662bb87554172b23298d0fe749817dad77
|
C1COCCO1.CC[O:5][C:3]([C:2]1([CH3:1])[CH2:6][CH2:7][N:8]([c:9]2[n:10][cH:11][c:12]([Br:13])[cH:14][n:15]2)[CH2:16][CH2:17]1)=[O:4].Cl.O=C([O-])O.[Na+]
|
[CH3:1][C:2]1([C:3](=[O:4])[OH:5])[CH2:6][CH2:7][N:8]([c:9]2[n:10][cH:11][c:12]([Br:13])[cH:14][n:15]2)[CH2:16][CH2:17]1
|
([C:5]-[C:4](-[C:6])(-[C;D1;H3:7])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1])>>(C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[C:5])(-[C:6])-[C;D1;H3:7])
|
de1d17a26514ff71919036de3c5735d8feace13146a0176a2d5ae502
| 1 | 1 |
C1COCCO1.Cl.O=C([O-])O.[Na+]
| 281 |
208,563 | 706,114 | 1,163,940 |
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1I.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH2:29]([OH:32])[C:30]#[CH:31].C(N(C(C)C)CC)(C)C>[Cl-].[Na+].O.[Cu]I.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C(Cl)(Cl)Cl.[Pd].[Pd].O1CCCC1>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:31]#[C:30][CH2:29][OH:32]
|
|f:4.5.6,8.9.10.11.12.13|
|
US08129361B2_1095
| 2,012 |
C1CCOC1.CCN(C(C)C)C(C)C.ClC(Cl)Cl.I[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][c:11]1[F:12].O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Cl-].[Cu]I.[Na+].[OH:1][CH2:2][C:3]#[CH:4].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>[OH:1][CH2:2][C:3]#[C:4][c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][c:11]1[F:12]
| 0.964988 |
C#CCO.C1CCOC1.CCN(C(C)C)C(C)C.ClC(Cl)Cl~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~O=C(/C=C/c1ccccc1)/C=C/c1ccccc1~[Pd]~[Pd].Fc1ccc(I)c(F)c1.O~[Cl-]~[Na+].[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>OCC#Cc1ccc(F)cc1F
|
C#CCO.C1CCOC1.CCN(C(C)C)C(C)C.ClC(Cl)Cl.Fc1ccc(I)c(F)c1.O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Cl-].[Cu]I.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>OCC#Cc1ccc(F)cc1F
|
US08129361B2_1095grants
|
fcf0a4b1d64d050b7eee97c959d4c75a4193519fcce6fc6cd299ad70
|
C1CCOC1.CCN(C(C)C)C(C)C.ClC(Cl)Cl.I[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][c:11]1[F:12].O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Cl-].[Cu]I.[Na+].[OH:1][CH2:2][C:3]#[CH:4].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1
|
[OH:1][CH2:2][C:3]#[C:4][c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][c:11]1[F:12]
|
([C:4]#[C;H0;D2;+0:5]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(I-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]#[CH;D1;+0:5])
|
342ec13d6dc46f8caedd04911cf98542ef6704fb7da33fd6b60ef2c6
| 1 | 1 |
C1CCOC1.CCN(C(C)C)C(C)C.ClC(Cl)Cl.O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Cl-].[Cu]I.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1
| 664 |
49,962 | 216,780 | 352,898 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]([OH:8])=O.[N+]([O-])(O)=O.[O:13]([CH2:17][CH2:18][NH2:19])[N+:14]([O-:16])=[O:15].C(OC(C)C)(C)C>>[O:13]([CH2:17][CH2:18][NH:19][C:6]([C:2]1[S:1][CH:5]=[CH:4][CH:3]=1)=[O:8])[N+:14]([O-:16])=[O:15]
|
|f:1.2|
|
US05580893_
| 1,996 |
CC(C)OC(C)C.O=[N+]([O-])O.O[C:2](=[O:1])[c:10]1[cH:11][cH:12][cH:13][s:14]1.[NH2:3][CH2:4][CH2:5][O:6][N+:7](=[O:8])[O-:9]>>[O:1]=[C:2]([NH:3][CH2:4][CH2:5][O:6][N+:7](=[O:8])[O-:9])[c:10]1[cH:11][cH:12][cH:13][s:14]1
| 0.778844 |
CC(C)OC(C)C.NCCO[N+](=O)[O-]~O=[N+]([O-])O.O=C(O)c1cccs1>>O=C(NCCO[N+](=O)[O-])c1cccs1
|
CC(C)OC(C)C.NCCO[N+](=O)[O-].O=C(O)c1cccs1.O=[N+]([O-])O>>O=C(NCCO[N+](=O)[O-])c1cccs1
|
US05580893_grants
|
3fcd35fd423ad2e355275ac474ad4fe1d09ac238fd8e208d389142ca
|
CC(C)OC(C)C.O=[N+]([O-])O.O[C:2](=[O:1])[c:10]1[cH:11][cH:12][cH:13][s:14]1.[NH2:3][CH2:4][CH2:5][O:6][N+:7](=[O:8])[O-:9]
|
[O:1]=[C:2]([NH:3][CH2:4][CH2:5][O:6][N+:7](=[O:8])[O-:9])[c:10]1[cH:11][cH:12][cH:13][s:14]1
|
([#16;a:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:6]-[C:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#16;a:4]).([C:5]-[NH2;D1;+0:6])
|
5bb56310c7e4f3afa8eb9f308cf2a936bbefe860ff713537ff3aa57d
| 1 | 1 |
CC(C)OC(C)C.O=[N+]([O-])O
| 736 |
156,750 | 556,420 | 929,770 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([S:8]([CH2:11][CH3:12])(=[O:10])=[O:9])=[CH:4][C:3]=1[N+:13]([O-:15])=[O:14].[NH2:16][CH2:17][CH:18]1[CH2:23][CH2:22][CH2:21][CH2:20][O:19]1.C(N(CC)C(C)C)(C)C>>[CH2:11]([S:8]([C:5]1[CH:6]=[CH:7][C:2]([NH:16][CH2:17][CH:18]2[CH2:23][CH2:22][CH2:21][CH2:20][O:19]2)=[C:3]([N+:13]([O-:15])=[O:14])[CH:4]=1)(=[O:10])=[O:9])[CH3:12]
| null |
US07598393B2_1019
| 2,009 |
CCN(C(C)C)C(C)C.Cl[c:9]1[cH:8][cH:7][c:6]([S:3]([CH2:2][CH3:1])(=[O:4])=[O:5])[cH:22][c:18]1[N+:19](=[O:20])[O-:21].[NH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][O:17]1>>[CH3:1][CH2:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:10][CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][O:17]2)[c:18]([N+:19](=[O:20])[O-:21])[cH:22]1
| 0.525246 |
CCN(C(C)C)C(C)C.CCS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.NCC1CCCCO1>>CCS(=O)(=O)c1ccc(NCC2CCCCO2)c([N+](=O)[O-])c1
|
CCN(C(C)C)C(C)C.CCS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.NCC1CCCCO1>>CCS(=O)(=O)c1ccc(NCC2CCCCO2)c([N+](=O)[O-])c1
|
US07598393B2_1019grants
|
56093c8abff75703da5f797c8894c173b2ee19c102f16dbc4b98a918
|
CCN(C(C)C)C(C)C.Cl[c:9]1[cH:8][cH:7][c:6]([S:3]([CH2:2][CH3:1])(=[O:4])=[O:5])[cH:22][c:18]1[N+:19](=[O:20])[O-:21].[NH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][O:17]1
|
[CH3:1][CH2:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9]([NH:10][CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][O:17]2)[c:18]([N+:19](=[O:20])[O-:21])[cH:22]1
|
([C:4]-[NH;D2;+0:5]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(Cl-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[NH2;D1;+0:5])
|
d123565ed644ccc6f54e36123787f5906b57fd501e36d0d80af555c4
| 1 | 1 |
CCN(C(C)C)C(C)C
| 304 |
64,758 | 271,491 | 460,565 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:15][CH2:16][CH3:17])=[C:9]([O:12][CH2:13][CH3:14])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:18]#[N:19].[NH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[C:21]1([NH:20][C:2]2[C:11]3[C:6](=[CH:7][C:8]([O:15][CH2:16][CH3:17])=[C:9]([O:12][CH2:13][CH3:14])[CH:10]=3)[N:5]=[CH:4][C:3]=2[C:18]#[N:19])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1
| null |
US06002008_
| 1,999 |
Cl[c:12]1[c:9]([C:10]#[N:11])[cH:8][n:7][c:6]2[cH:5][c:4]([O:3][CH2:2][CH3:1])[c:22]([O:23][CH2:24][CH3:25])[cH:21][c:20]21.[NH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]2[n:7][cH:8][c:9]([C:10]#[N:11])[c:12]([NH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:20]2[cH:21][c:22]1[O:23][CH2:24][CH3:25]
| 0.928986 |
CCOc1cc2ncc(C#N)c(Cl)c2cc1OCC.Nc1ccccc1>>CCOc1cc2ncc(C#N)c(Nc3ccccc3)c2cc1OCC
|
CCOc1cc2ncc(C#N)c(Cl)c2cc1OCC.Nc1ccccc1>>CCOc1cc2ncc(C#N)c(Nc3ccccc3)c2cc1OCC
|
US06002008_grants
|
7a6429fffce3bf734c88d7ce21345137a2496d341750d1f8cc42c073
|
Cl[c:12]1[c:9]([C:10]#[N:11])[cH:8][n:7][c:6]2[cH:5][c:4]([O:3][CH2:2][CH3:1])[c:22]([O:23][CH2:24][CH3:25])[cH:21][c:20]21.[NH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
|
[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]2[n:7][cH:8][c:9]([C:10]#[N:11])[c:12]([NH:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:20]2[cH:21][c:22]1[O:23][CH2:24][CH3:25]
|
([c:8]-[NH;D2;+0:7]-[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).([NH2;D1;+0:7]-[c:8])
|
9570cc8968956ee59317fddf13fef791d7dfc21debbdd4eb83898274
| 1 | 1 | null | 115 |
362,756 | 655,705 | null |
[C:1]([C:3]1[C:4]([N:24]2[CH2:29][CH2:28][CH:27]([C:30](O)=[O:31])[CH2:26][CH2:25]2)=[N:5][C:6]([CH2:17][N:18]2[CH2:22][CH2:21][CH2:20][C:19]2=[O:23])=[C:7]([C:9](=[O:16])[CH2:10][CH2:11][C:12]([F:15])([F:14])[F:13])[CH:8]=1)#[N:2].[F:33][C:34]1[CH:39]=[C:38]([F:40])[CH:37]=[CH:36][C:35]=1[CH2:41][S:42]([NH2:45])(=[O:44])=[O:43]>>[C:1]([C:3]1[C:4]([N:24]2[CH2:29][CH2:28][CH:27]([C:30]([NH:45][S:42]([CH2:41][C:35]3[CH:36]=[CH:37][C:38]([F:40])=[CH:39][C:34]=3[F:33])(=[O:43])=[O:44])=[O:31])[CH2:26][CH2:25]2)=[N:5][C:6]([CH2:17][N:18]2[CH2:22][CH2:21][CH2:20][C:19]2=[O:23])=[C:7]([C:9](=[O:16])[CH2:10][CH2:11][C:12]([F:14])([F:13])[F:15])[CH:8]=1)#[N:2]
| null |
US20090018166A1_0758
| 2,009 |
O[C:28]([CH:27]1[CH2:26][CH2:25][N:24]([c:23]2[c:3]([C:2]#[N:1])[cH:4][c:5]([C:6](=[O:7])[CH2:8][CH2:9][C:10]([F:11])([F:12])[F:13])[c:14]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][C:20]3=[O:21])[n:22]2)[CH2:44][CH2:43]1)=[O:29].[NH2:30][S:31](=[O:32])(=[O:33])[CH2:34][c:35]1[cH:36][cH:37][c:38]([F:39])[cH:40][c:41]1[F:42]>>[N:1]#[C:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[CH2:8][CH2:9][C:10]([F:11])([F:12])[F:13])[c:14]([CH2:15][N:16]2[CH2:17][CH2:18][CH2:19][C:20]2=[O:21])[n:22][c:23]1[N:24]1[CH2:25][CH2:26][CH:27]([C:28](=[O:29])[NH:30][S:31](=[O:32])(=[O:33])[CH2:34][c:35]2[cH:36][cH:37][c:38]([F:39])[cH:40][c:41]2[F:42])[CH2:43][CH2:44]1
| 0.217719 |
N#Cc1cc(C(=O)CCC(F)(F)F)c(CN2CCCC2=O)nc1N1CCC(C(=O)O)CC1.NS(=O)(=O)Cc1ccc(F)cc1F>>N#Cc1cc(C(=O)CCC(F)(F)F)c(CN2CCCC2=O)nc1N1CCC(C(=O)NS(=O)(=O)Cc2ccc(F)cc2F)CC1
|
N#Cc1cc(C(=O)CCC(F)(F)F)c(CN2CCCC2=O)nc1N1CCC(C(=O)O)CC1.NS(=O)(=O)Cc1ccc(F)cc1F>>N#Cc1cc(C(=O)CCC(F)(F)F)c(CN2CCCC2=O)nc1N1CCC(C(=O)NS(=O)(=O)Cc2ccc(F)cc2F)CC1
|
US20090018166A1_0758apps
|
1ab6f20cfa6b5f8e3e0446ff7bd8ba745e7261733f995bbabcf57728
|
O[C:28]([CH:27]1[CH2:26][CH2:25][N:24]([c:23]2[c:3]([C:2]#[N:1])[cH:4][c:5]([C:6](=[O:7])[CH2:8][CH2:9][C:10]([F:11])([F:12])[F:13])[c:14]([CH2:15][N:16]3[CH2:17][CH2:18][CH2:19][C:20]3=[O:21])[n:22]2)[CH2:44][CH2:43]1)=[O:29].[NH2:30][S:31](=[O:32])(=[O:33])[CH2:34][c:35]1[cH:36][cH:37][c:38]([F:39])[cH:40][c:41]1[F:42]
|
[N:1]#[C:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[CH2:8][CH2:9][C:10]([F:11])([F:12])[F:13])[c:14]([CH2:15][N:16]2[CH2:17][CH2:18][CH2:19][C:20]2=[O:21])[n:22][c:23]1[N:24]1[CH2:25][CH2:26][CH:27]([C:28](=[O:29])[NH:30][S:31](=[O:32])(=[O:33])[CH2:34][c:35]2[cH:36][cH:37][c:38]([F:39])[cH:40][c:41]2[F:42])[CH2:43][CH2:44]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:6]-[#16:5](-[C:4])(=[O;D1;H0:7])=[O;D1;H0:8])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[#16:5](-[NH2;D1;+0:6])(=[O;D1;H0:7])=[O;D1;H0:8])
|
17f62c18336862c7893d0e771f11cdb971701ed9f276bd49e0687bd6
| 1 | 1 | null | 644 |
245,573 | 816,842 | 1,352,049 |
[BH4-].[Li+].C([O:5][C:6](=O)[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[N:13]([S:15]([CH3:18])(=[O:17])=[O:16])[CH3:14])C.[Cl-].[NH4+].S([O-])([O-])(=O)=O.[Na+].[Na+]>O1CCCC1.ClCCl>[OH:5][CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[N:13]([CH3:14])[S:15]([CH3:18])(=[O:17])=[O:16]
|
|f:0.1,3.4,5.6.7|
|
US08501936B2_0941
| 2,013 |
C1CCOC1.CCO[C:9]([c:8]1[c:3]([N:2]([CH3:1])[S:11]([CH3:12])(=[O:13])=[O:14])[cH:4][cH:5][cH:6][cH:7]1)=[O:10].ClCCl.O=S(=O)([O-])[O-].[BH4-].[Cl-].[Li+].[NH4+].[Na+].[Na+]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][OH:10])[S:11]([CH3:12])(=[O:13])=[O:14]
| 0.710899 |
C1CCOC1.CCOC(=O)c1ccccc1N(C)S(C)(=O)=O.ClCCl.O=S(=O)([O-])[O-]~[Na+]~[Na+].[BH4-]~[Li+].[Cl-]~[NH4+]>>CN(c1ccccc1CO)S(C)(=O)=O
|
C1CCOC1.CCOC(=O)c1ccccc1N(C)S(C)(=O)=O.ClCCl.O=S(=O)([O-])[O-].[BH4-].[Cl-].[Li+].[NH4+].[Na+].[Na+]>>CN(c1ccccc1CO)S(C)(=O)=O
|
US08501936B2_0941grants
|
b8f3945c8dd85517504e2778a7785857bb8724fec0ed7cc53785450a
|
C1CCOC1.CCO[C:9]([c:8]1[c:3]([N:2]([CH3:1])[S:11]([CH3:12])(=[O:13])=[O:14])[cH:4][cH:5][cH:6][cH:7]1)=[O:10].ClCCl.O=S(=O)([O-])[O-].[BH4-].[Cl-].[Li+].[NH4+].[Na+].[Na+]
|
[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][OH:10])[S:11]([CH3:12])(=[O:13])=[O:14]
|
([OH;D1;+0:2]-[CH2;D2;+0:1]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1)>>(C-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)
|
18f76638989d0487f726539e3f3ec9b50837e20360eb957f5cd0d9a2
| 1 | 1 |
C1CCOC1.ClCCl.O=S(=O)([O-])[O-].[BH4-].[Cl-].[Li+].[NH4+].[Na+].[Na+]
| 311 |
420,972 | 1,767,232 | null |
S(Cl)([Cl:3])=O.[Cl:5][C:6]1[CH:11]=[C:10]([CH2:12]O)[CH:9]=[C:8]([NH:14][C:15]2[CH:20]=[C:19]([C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][C:22]=3[O:28][CH3:29])[N:18]=[CH:17][N:16]=2)[N:7]=1.C(=O)(O)[O-].[Na+]>CN(C=O)C.C(OCC)(=O)C>[Cl:5][C:6]1[N:7]=[C:8]([NH:14][C:15]2[CH:20]=[C:19]([C:21]3[CH:26]=[CH:25][C:24]([F:27])=[CH:23][C:22]=3[O:28][CH3:29])[N:18]=[CH:17][N:16]=2)[CH:9]=[C:10]([CH2:12][Cl:3])[CH:11]=1
|
|f:2.3|
|
US20150291559A1_0778
| 2,015 |
CCOC(C)=O.CN(C)C=O.O=C([O-])O.O=S(Cl)[Cl:18].O[CH2:17][c:16]1[cH:15][c:14]([NH:13][c:12]2[cH:11][c:10](-[c:9]3[c:3]([O:2][CH3:1])[cH:4][c:5]([F:6])[cH:7][cH:8]3)[n:25][cH:24][n:23]2)[n:22][c:20]([Cl:21])[cH:19]1.[Na+]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([F:6])[cH:7][cH:8][c:9]1-[c:10]1[cH:11][c:12]([NH:13][c:14]2[cH:15][c:16]([CH2:17][Cl:18])[cH:19][c:20]([Cl:21])[n:22]2)[n:23][cH:24][n:25]1
| 0.612175 |
CCOC(C)=O.CN(C)C=O.COc1cc(F)ccc1-c1cc(Nc2cc(CO)cc(Cl)n2)ncn1.O=C([O-])O~[Na+].O=S(Cl)Cl>>COc1cc(F)ccc1-c1cc(Nc2cc(CCl)cc(Cl)n2)ncn1
|
CCOC(C)=O.CN(C)C=O.COc1cc(F)ccc1-c1cc(Nc2cc(CO)cc(Cl)n2)ncn1.O=C([O-])O.O=S(Cl)Cl.[Na+]>>COc1cc(F)ccc1-c1cc(Nc2cc(CCl)cc(Cl)n2)ncn1
|
US20150291559A1_0778apps
|
d6c4987918d5a0c1e8df3a8cd172cb7eee24d8b8bc9efa96eaf3ac8e
|
CCOC(C)=O.CN(C)C=O.O=C([O-])O.O=S(Cl)[Cl:18].O[CH2:17][c:16]1[cH:15][c:14]([NH:13][c:12]2[cH:11][c:10](-[c:9]3[c:3]([O:2][CH3:1])[cH:4][c:5]([F:6])[cH:7][cH:8]3)[n:25][cH:24][n:23]2)[n:22][c:20]([Cl:21])[cH:19]1.[Na+]
|
[CH3:1][O:2][c:3]1[cH:4][c:5]([F:6])[cH:7][cH:8][c:9]1-[c:10]1[cH:11][c:12]([NH:13][c:14]2[cH:15][c:16]([CH2:17][Cl:18])[cH:19][c:20]([Cl:21])[n:22]2)[n:23][cH:24][n:25]1
|
([Cl;H0;D1;+0:1]-[CH2;D2;+0:2]-[c:3])>>(Cl-S(=O)-[Cl;H0;D1;+0:1]).(O-[CH2;D2;+0:2]-[c:3])
|
f219a02056b72fb5f0e81082faa1eb7a39fed15ff0ebe5990bb89c68
| 1 | 1 |
CCOC(C)=O.CN(C)C=O.O=C([O-])O.[Na+]
| 81 |
276,820 | 907,605 | 1,514,468 |
S(Cl)([Cl:3])=O.[Cl:5][C:6]1[CH:7]=[C:8]([NH:13][C:14]2[N:19]=[CH:18][N:17]=[C:16]([CH2:20]O)[CH:15]=2)[CH:9]=[CH:10][C:11]=1[Cl:12]>C(Cl)(Cl)Cl>[Cl:3][CH2:20][C:16]1[N:17]=[CH:18][N:19]=[C:14]([NH:13][C:8]2[CH:9]=[CH:10][C:11]([Cl:12])=[C:6]([Cl:5])[CH:7]=2)[CH:15]=1
| null |
US08841301B2_0153
| 2,014 |
ClC(Cl)Cl.O=S(Cl)[Cl:1].O[CH2:2][c:3]1[cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14]2)[n:15][cH:16][n:17]1>>[Cl:1][CH2:2][c:3]1[cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14]2)[n:15][cH:16][n:17]1
| 0.378819 |
ClC(Cl)Cl.O=S(Cl)Cl.OCc1cc(Nc2ccc(Cl)c(Cl)c2)ncn1>>ClCc1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
|
ClC(Cl)Cl.O=S(Cl)Cl.OCc1cc(Nc2ccc(Cl)c(Cl)c2)ncn1>>ClCc1cc(Nc2ccc(Cl)c(Cl)c2)ncn1
|
US08841301B2_0153grants
|
70c2c6cd341d8922573d88dab5b1629e3798854d5bb745b0264a123d
|
ClC(Cl)Cl.O=S(Cl)[Cl:1].O[CH2:2][c:3]1[cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14]2)[n:15][cH:16][n:17]1
|
[Cl:1][CH2:2][c:3]1[cH:4][c:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14]2)[n:15][cH:16][n:17]1
|
([#7;a:4]:[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]:[#7;a:4])
|
d7215920547f66a22113fee1c68319b7bce644373277972cbef4d8fc
| 1 | 1 |
ClC(Cl)Cl
| 594 |
87,138 | 347,049 | 591,962 |
[OH:1][P:2]([CH:16]([NH:24][C:25]([O:27][CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:26])[CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)([CH2:4][CH:5]([CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:6](O)=[O:7])=[O:3].[NH2:35][C@H:36]([C:38]([O:40][CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)=[O:39])[CH3:37].C1(C)C=CC(S(O)(=O)=O)=CC=1>>[OH:3][P:2]([CH2:4][CH:5]([CH2:9][C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1)[C:6]([NH:35][C@H:36]([C:38]([O:40][CH2:41][C:42]1[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=1)=[O:39])[CH3:37])=[O:7])([CH:16]([NH:24][C:25]([O:27][CH2:28][C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=1)=[O:26])[CH2:17][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1)=[O:1]
| null |
US06518260B1_
| 2,003 |
Cc1ccc(S(=O)(=O)O)cc1.O[C:4](=[O:5])[CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][P:15](=[O:16])([OH:17])[CH:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:1][C@H:2]([NH2:3])[C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH3:1][C@H:2]([NH:3][C:4](=[O:5])[CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][P:15](=[O:16])([OH:17])[CH:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1
| 0.532985 |
C[C@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1.O=C(NC(Cc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O)OCc1ccccc1>>C[C@H](NC(=O)C(Cc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
|
C[C@H](N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1.O=C(NC(Cc1ccccc1)P(=O)(O)CC(Cc1ccccc1)C(=O)O)OCc1ccccc1>>C[C@H](NC(=O)C(Cc1ccccc1)CP(=O)(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
|
US06518260B1_grants
|
5e0665ecc8a377bfbf433fda2241115e8aadd1aa9470ea19a7fbf96e
|
Cc1ccc(S(=O)(=O)O)cc1.O[C:4](=[O:5])[CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][P:15](=[O:16])([OH:17])[CH:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:1][C@H:2]([NH2:3])[C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1
|
[CH3:1][C@H:2]([NH:3][C:4](=[O:5])[CH:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][P:15](=[O:16])([OH:17])[CH:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:37](=[O:38])[O:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9]-[c:10])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH2;D1;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9]-[c:10])
|
a5cfb02e53be928d69cbbba57909bf6b13a45ea2a66fbacf6eded0d3
| 1 | 1 |
Cc1ccc(S(=O)(=O)O)cc1
| 132 |
209,033 | 707,389 | 1,165,644 |
[OH:1][CH2:2][CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1.N1C=CN=C1.[C:17]([Si:21]([CH3:24])([CH3:23])Cl)([CH3:20])([CH3:19])[CH3:18]>CN(C)C=O>[C:17]([Si:21]([CH3:24])([CH3:23])[O:1][CH2:2][CH2:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1)([CH3:20])([CH3:19])[CH3:18]
| null |
US08134001B2_0406
| 2,012 |
CN(C)C=O.Cl[Si:5]([C:2]([CH3:1])([CH3:3])[CH3:4])([CH3:6])[CH3:7].[OH:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]1.c1c[nH]cn1>>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]1
| 0.371804 |
CC(C)(C)[Si](C)(C)Cl.CN(C)C=O.OCCOc1ccc(O)cc1.c1c[nH]cn1>>CC(C)(C)[Si](C)(C)OCCOc1ccc(O)cc1
|
CC(C)(C)[Si](C)(C)Cl.CN(C)C=O.OCCOc1ccc(O)cc1.c1c[nH]cn1>>CC(C)(C)[Si](C)(C)OCCOc1ccc(O)cc1
|
US08134001B2_0406grants
|
24bed499f72e7f9d41067095ff3371857fbe3cb6c62fa0854d44b376
|
CN(C)C=O.Cl[Si:5]([C:2]([CH3:1])([CH3:3])[CH3:4])([CH3:6])[CH3:7].[OH:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]1.c1c[nH]cn1
|
[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]1
|
([C:2]-[Si;H0;D4;+0:1](-[C;D1;H3:3])(-[C;D1;H3:4])-[O;H0;D2;+0:6]-[C:5])>>(Cl-[Si;H0;D4;+0:1](-[C:2])(-[C;D1;H3:3])-[C;D1;H3:4]).([C:5]-[OH;D1;+0:6])
|
2198be2381e37a3334f25c59fbeede1694f6fea560c8926b33da47aa
| 1 | 1 |
CN(C)C=O.c1c[nH]cn1
| 193 |
125,334 | 461,670 | 781,383 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[OH:11].[CH:12](O)([CH3:14])[CH3:13]>>[CH:12]([O:7][C:6](=[O:8])[C:5]1[CH:9]=[CH:10][C:2]([Cl:1])=[C:3]([OH:11])[CH:4]=1)([CH3:14])[CH3:13]
| null |
US07205409B2_0477
| 2,007 |
O[C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([Cl:11])[c:12]([OH:13])[cH:14]1.[CH3:1][CH:2]([CH3:3])[OH:4]>>[CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([Cl:11])[c:12]([OH:13])[cH:14]1
| 0.470179 |
CC(C)O.O=C(O)c1ccc(Cl)c(O)c1>>CC(C)OC(=O)c1ccc(Cl)c(O)c1
|
CC(C)O.O=C(O)c1ccc(Cl)c(O)c1>>CC(C)OC(=O)c1ccc(Cl)c(O)c1
|
US07205409B2_0477grants
|
85a25cc5823a9bbcd9d78eb4881f2e95a9d0f672d582e12530ac1665
|
O[C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([Cl:11])[c:12]([OH:13])[cH:14]1.[CH3:1][CH:2]([CH3:3])[OH:4]
|
[CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([Cl:11])[c:12]([OH:13])[cH:14]1
|
([C:4]-[O;H0;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]-[OH;D1;+0:5])
|
462ff262701550e8361ae350b730fe337624136bbbc825e08432a1b4
| 1 | 1 | null | 33 |
393,733 | 1,225,387 | null |
C[O:2][C:3]([C:5]1[C:13]2[C:8](=[C:9]([F:19])[CH:10]=[CH:11][C:12]=2[O:14][C:15]([F:18])([F:17])[F:16])[N:7]([CH2:20][CH2:21][O:22][C:23]([F:26])([F:25])[F:24])[CH:6]=1)=[O:4]>CO.[OH-].[Na+]>[F:19][C:9]1[CH:10]=[CH:11][C:12]([O:14][C:15]([F:18])([F:16])[F:17])=[C:13]2[C:8]=1[N:7]([CH2:20][CH2:21][O:22][C:23]([F:26])([F:25])[F:24])[CH:6]=[C:5]2[C:3]([OH:4])=[O:2]
|
|f:2.3|
|
US20120142735A1_0427
| 2,012 |
CO.C[O:3][C:2](=[O:1])[c:4]1[cH:5][n:6]([CH2:7][CH2:8][O:9][C:10]([F:11])([F:12])[F:13])[c:14]2[c:15]([F:16])[cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[F:24])[c:25]12.[Na+].[OH-]>>[O:1]=[C:2]([OH:3])[c:4]1[cH:5][n:6]([CH2:7][CH2:8][O:9][C:10]([F:11])([F:12])[F:13])[c:14]2[c:15]([F:16])[cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[F:24])[c:25]12
| 0.118957 |
CO.COC(=O)c1cn(CCOC(F)(F)F)c2c(F)ccc(OC(F)(F)F)c12.[Na+]~[OH-]>>O=C(O)c1cn(CCOC(F)(F)F)c2c(F)ccc(OC(F)(F)F)c12
|
CO.COC(=O)c1cn(CCOC(F)(F)F)c2c(F)ccc(OC(F)(F)F)c12.[Na+].[OH-]>>O=C(O)c1cn(CCOC(F)(F)F)c2c(F)ccc(OC(F)(F)F)c12
|
US20120142735A1_0427apps
|
cb8ebede3945da9c996ca6f8a0f4cc0459b7376a661bb6c1466d58c3
|
CO.C[O:3][C:2](=[O:1])[c:4]1[cH:5][n:6]([CH2:7][CH2:8][O:9][C:10]([F:11])([F:12])[F:13])[c:14]2[c:15]([F:16])[cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[F:24])[c:25]12.[Na+].[OH-]
|
[O:1]=[C:2]([OH:3])[c:4]1[cH:5][n:6]([CH2:7][CH2:8][O:9][C:10]([F:11])([F:12])[F:13])[c:14]2[c:15]([F:16])[cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[F:24])[c:25]12
|
([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.[Na+].[OH-]
| 152 |
54,947 | 236,235 | 396,341 |
[F:1][C:2]([F:14])([F:13])[C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10]([OH:12])=[O:11])=[CH:5][CH:4]=1.[N+:15]([O-])([OH:17])=[O:16]>S(=O)(=O)(O)O>[N+:15]([C:5]1[CH:4]=[C:3]([C:2]([F:13])([F:14])[F:1])[CH:8]=[CH:7][C:6]=1[CH2:9][C:10]([OH:12])=[O:11])([O-:17])=[O:16]
| null |
US05711966_
| 1,998 |
O=S(=O)(O)O.O[N+:15](=[O:16])[O-:17].[O:1]=[C:2]([OH:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13][cH:14]1>>[O:1]=[C:2]([OH:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13][c:14]1[N+:15](=[O:16])[O-:17]
| 0.144162 |
O=C(O)Cc1ccc(C(F)(F)F)cc1.O=S(=O)(O)O.O=[N+]([O-])O>>O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
|
O=C(O)Cc1ccc(C(F)(F)F)cc1.O=S(=O)(O)O.O=[N+]([O-])O>>O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
|
US05711966_grants
|
57ba7b35af748bf4137ad32c726520f9cdc7aa0095b487af30e609b7
|
O=S(=O)(O)O.O[N+:15](=[O:16])[O-:17].[O:1]=[C:2]([OH:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13][cH:14]1
|
[O:1]=[C:2]([OH:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13][c:14]1[N+:15](=[O:16])[O-:17]
|
([O;-;D1;H0:2]-[N+;H0;D3:1](=[O;D1;H0:3])-[c;H0;D3;+0:5](:[c:4]):[c:6])>>(O-[N+;H0;D3:1](-[O;-;D1;H0:2])=[O;D1;H0:3]).([c:4]:[cH;D2;+0:5]:[c:6])
|
c25d51e5af868cef93abbb502e1d42ba1564ccc8abe5e0e442b85ea3
| 1 | 1 |
O=S(=O)(O)O
| 21 |
121,170 | 449,291 | 763,441 |
Cl[C:2]1[N:7]2[N:8]=[C:9]([C:23]3[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=3)[C:10]([C:11]3[CH:16]=[CH:15][N:14]=[C:13]([NH:17][CH:18]4[CH2:22][CH2:21][CH2:20][CH2:19]4)[N:12]=3)=[C:6]2[CH:5]=[CH:4][CH:3]=1.[NH2:31][CH2:32][CH2:33][N:34]1[CH2:39][CH2:38][O:37][CH2:36][CH2:35]1.C(OCC)(=O)C.CCCCCC>C(OCC)(=O)C>[CH:18]1([NH:17][C:13]2[N:12]=[C:11]([C:10]3[C:9]([C:23]4[CH:28]=[CH:27][C:26]([O:29][CH3:30])=[CH:25][CH:24]=4)=[N:8][N:7]4[C:2]([NH:31][CH2:32][CH2:33][N:34]5[CH2:39][CH2:38][O:37][CH2:36][CH2:35]5)=[CH:3][CH:4]=[CH:5][C:6]=34)[CH:16]=[CH:15][N:14]=2)[CH2:19][CH2:20][CH2:21][CH2:22]1
|
|f:2.3|
|
US07153855B2_0691
| 2,006 |
CCCCCC.CCOC(C)=O.CCOC(C)=O.Cl[c:10]1[n:9]2[n:8][c:7](-[c:6]3[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:38][cH:37]3)[c:24](-[c:25]3[cH:26][cH:27][n:28][c:29]([NH:30][CH:31]4[CH2:32][CH2:33][CH2:34][CH2:35]4)[n:36]3)[c:23]2[cH:22][cH:21][cH:20]1.[NH2:11][CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][n:9]3[c:10]([NH:11][CH2:12][CH2:13][N:14]4[CH2:15][CH2:16][O:17][CH2:18][CH2:19]4)[cH:20][cH:21][cH:22][c:23]3[c:24]2-[c:25]2[cH:26][cH:27][n:28][c:29]([NH:30][CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[n:36]2)[cH:37][cH:38]1
| 0.883381 |
CCCCCC~CCOC(C)=O.CCOC(C)=O.COc1ccc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1.NCCN1CCOCC1>>COc1ccc(-c2nn3c(NCCN4CCOCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1
|
CCCCCC.CCOC(C)=O.CCOC(C)=O.COc1ccc(-c2nn3c(Cl)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1.NCCN1CCOCC1>>COc1ccc(-c2nn3c(NCCN4CCOCC4)cccc3c2-c2ccnc(NC3CCCC3)n2)cc1
|
US07153855B2_0691grants
|
018e63816e0c889801192ce926054596ca095e001d32bc1351071c81
|
CCCCCC.CCOC(C)=O.CCOC(C)=O.Cl[c:10]1[n:9]2[n:8][c:7](-[c:6]3[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:38][cH:37]3)[c:24](-[c:25]3[cH:26][cH:27][n:28][c:29]([NH:30][CH:31]4[CH2:32][CH2:33][CH2:34][CH2:35]4)[n:36]3)[c:23]2[cH:22][cH:21][cH:20]1.[NH2:11][CH2:12][CH2:13][N:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][n:9]3[c:10]([NH:11][CH2:12][CH2:13][N:14]4[CH2:15][CH2:16][O:17][CH2:18][CH2:19]4)[cH:20][cH:21][cH:22][c:23]3[c:24]2-[c:25]2[cH:26][cH:27][n:28][c:29]([NH:30][CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35]3)[n:36]2)[cH:37][cH:38]1
|
([#7;a:4]:[#7;a:3]:[c;H0;D3;+0:1](:[c:2])-[NH;D2;+0:6]-[C:5])>>(Cl-[c;H0;D3;+0:1](:[c:2]):[#7;a:3]:[#7;a:4]).([C:5]-[NH2;D1;+0:6])
|
5f13446fcb79725f80c90d285f87aecee7fc157d5d335032fedca541
| 1 | 1 |
CCCCCC.CCOC(C)=O.CCOC(C)=O
| 241 |
310,323 | 1,009,179 | 1,707,951 |
[NH2:1][C:2]1[C:10]([OH:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.CCN=C=NCCCN(C)C.OC1C2N=NNC=2C=CC=1.[F:33][C:34]([F:50])([F:49])[C:35]1[CH:40]=[CH:39][C:38]([CH2:41][NH2:42])=[C:37]([N:43]2[CH2:48][CH2:47][CH2:46][CH2:45][CH2:44]2)[CH:36]=1>CN(C=O)C>[F:49][C:34]([F:33])([F:50])[C:35]1[CH:40]=[CH:39][C:38]([CH2:41][NH:42][C:4](=[O:6])[C:3]2[CH:7]=[CH:8][CH:9]=[C:10]([OH:11])[C:2]=2[NH2:1])=[C:37]([N:43]2[CH2:48][CH2:47][CH2:46][CH2:45][CH2:44]2)[CH:36]=1
| null |
US09216975B2_0359
| 2,015 |
CCN=C=NCCCN(C)C.CN(C)C=O.O[C:9]([c:8]1[c:2]([NH2:1])[c:3]([OH:4])[cH:5][cH:6][cH:7]1)=[O:10].Oc1cccc2[nH]nnc12.[NH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21][c:22]1[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1>>[NH2:1][c:2]1[c:3]([OH:4])[cH:5][cH:6][cH:7][c:8]1[C:9](=[O:10])[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21][c:22]1[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1
| 0.190845 |
CCN=C=NCCCN(C)C.CN(C)C=O.NCc1ccc(C(F)(F)F)cc1N1CCCCC1.Nc1c(O)cccc1C(=O)O.Oc1cccc2[nH]nnc12>>Nc1c(O)cccc1C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1
|
CCN=C=NCCCN(C)C.CN(C)C=O.NCc1ccc(C(F)(F)F)cc1N1CCCCC1.Nc1c(O)cccc1C(=O)O.Oc1cccc2[nH]nnc12>>Nc1c(O)cccc1C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCC1
|
US09216975B2_0359grants
|
bb19b6bf786ff7d9f0244dc40cd2138c87f854c46f102cb03e1761e3
|
CCN=C=NCCCN(C)C.CN(C)C=O.O[C:9]([c:8]1[c:2]([NH2:1])[c:3]([OH:4])[cH:5][cH:6][cH:7]1)=[O:10].Oc1cccc2[nH]nnc12.[NH2:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21][c:22]1[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1
|
[NH2:1][c:2]1[c:3]([OH:4])[cH:5][cH:6][cH:7][c:8]1[C:9](=[O:10])[NH:11][CH2:12][c:13]1[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21][c:22]1[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1
|
([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=NCCCN(C)C.CN(C)C=O.Oc1cccc2[nH]nnc12
| 753 |
371,566 | 787,842 | null |
[NH2:1][CH2:2][C@H:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[OH:4].C(O)(=O)C.[C:15]1([S:21]([C:24]2[CH:31]=[CH:30][C:27]([CH:28]=O)=[CH:26][CH:25]=2)(=[O:23])=[O:22])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C1COCC1>[C:15]1([S:21]([C:24]2[CH:25]=[CH:26][C:27]([CH2:28][NH:1][CH2:2][C@H:3]([C:5]3[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=3)[OH:4])=[CH:30][CH:31]=2)(=[O:23])=[O:22])[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=1
|
|f:3.4|
|
US20090275611A1_0068
| 2,009 |
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.O=[CH:14][c:13]1[cH:12][cH:11][c:10]([S:2](=[O:1])(=[O:3])[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[cH:26][cH:25]1.[NH2:15][CH2:16][C@@H:17]([OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Na+]>>[O:1]=[S:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][cH:12][c:13]([CH2:14][NH:15][CH2:16][C@@H:17]([OH:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26]1
| 0.485718 |
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].NC[C@@H](O)c1ccccc1.O=Cc1ccc(S(=O)(=O)c2ccccc2)cc1>>O=S(=O)(c1ccccc1)c1ccc(CNC[C@@H](O)c2ccccc2)cc1
|
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.NC[C@@H](O)c1ccccc1.O=Cc1ccc(S(=O)(=O)c2ccccc2)cc1.[Na+]>>O=S(=O)(c1ccccc1)c1ccc(CNC[C@@H](O)c2ccccc2)cc1
|
US20090275611A1_0068apps
|
9cdf26f678ca19d6f4c8b99f35ae947784364d7bfad7d092f87fb37c
|
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.O=[CH:14][c:13]1[cH:12][cH:11][c:10]([S:2](=[O:1])(=[O:3])[c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[cH:26][cH:25]1.[NH2:15][CH2:16][C@@H:17]([OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Na+]
|
[O:1]=[S:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[c:10]1[cH:11][cH:12][c:13]([CH2:14][NH:15][CH2:16][C@@H:17]([OH:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26]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])
|
f78624bd87f224b709b14a27d6ee712af84642974d7873cf47c74b30
| 1 | 1 |
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]
| 468 |
223,757 | 750,760 | 1,236,042 |
[C:1]1([OH:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:8][O:9][CH2:10]Cl.C(N(C(C)C)CC)(C)C>C(Cl)Cl>[CH3:8][O:9][CH2:10][O:7][C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
| null |
US08283102B2_0092
| 2,012 |
CCN(C(C)C)C(C)C.ClCCl.Cl[CH2:3][O:2][CH3:1].[OH:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1
| 0.899118 |
CCN(C(C)C)C(C)C.COCCl.ClCCl.Oc1ccccc1>>COCOc1ccccc1
|
CCN(C(C)C)C(C)C.COCCl.ClCCl.Oc1ccccc1>>COCOc1ccccc1
|
US08283102B2_0092grants
|
49dbbea98af4619264990a7a4964787cb51b0e7333ec2f9a24637d8d
|
CCN(C(C)C)C(C)C.ClCCl.Cl[CH2:3][O:2][CH3:1].[OH:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1
|
[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1
|
([#8:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-[c:4])>>(Cl-[CH2;D2;+0:1]-[#8:2]).([OH;D1;+0:3]-[c:4])
|
fc6fab65fb339dbd7dfcd04c121911749ca2392ca0b8fedb59c018a1
| 1 | 1 |
CCN(C(C)C)C(C)C.ClCCl
| 375 |
392,623 | 1,204,980 | null |
Br[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].C(=O)([O-])[O-].[K+].[K+].[Cl:14][C:15]1[CH:16]=[C:17]([C:25]2[O:29][N:28]=[C:27]([C:30]3[CH:31]=[CH:32][C:33]([OH:39])=[C:34]4[C:38]=3[O:37][CH:36]=[CH:35]4)[N:26]=2)[CH:18]=[CH:19][C:20]=1[O:21][CH:22]([CH3:24])[CH3:23].O>CN(C=O)C.CO>[Cl:14][C:15]1[CH:16]=[C:17]([C:25]2[O:29][N:28]=[C:27]([C:30]3[C:38]4[O:37][CH:36]=[CH:35][C:34]=4[C:33]([O:39][CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4])=[CH:32][CH:31]=3)[N:26]=2)[CH:18]=[CH:19][C:20]=1[O:21][CH:22]([CH3:24])[CH3:23]
|
|f:1.2.3|
|
US20120101124A1_0406
| 2,012 |
Br[CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5].CN(C)C=O.CO.O.O=C([O-])[O-].[K+].[K+].[OH:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[n:13][o:14][c:15](-[c:16]3[cH:17][cH:18][c:19]([O:20][CH:21]([CH3:22])[CH3:23])[c:24]([Cl:25])[cH:26]3)[n:27]2)[c:28]2[o:29][cH:30][cH:31][c:32]12>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[n:13][o:14][c:15](-[c:16]3[cH:17][cH:18][c:19]([O:20][CH:21]([CH3:22])[CH3:23])[c:24]([Cl:25])[cH:26]3)[n:27]2)[c:28]2[o:29][cH:30][cH:31][c:32]12
| 0.641772 |
CC(C)Oc1ccc(-c2nc(-c3ccc(O)c4ccoc34)no2)cc1Cl.CCOC(=O)CBr.CN(C)C=O.CO.O.O=C([O-])[O-]~[K+]~[K+]>>CCOC(=O)COc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2occc12
|
CC(C)Oc1ccc(-c2nc(-c3ccc(O)c4ccoc34)no2)cc1Cl.CCOC(=O)CBr.CN(C)C=O.CO.O.O=C([O-])[O-].[K+].[K+]>>CCOC(=O)COc1ccc(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)c2occc12
|
US20120101124A1_0406apps
|
def2cb89bd5d599a5360c7ae8f7254fd334296fa95e6e404d6b4633f
|
Br[CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5].CN(C)C=O.CO.O.O=C([O-])[O-].[K+].[K+].[OH:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[n:13][o:14][c:15](-[c:16]3[cH:17][cH:18][c:19]([O:20][CH:21]([CH3:22])[CH3:23])[c:24]([Cl:25])[cH:26]3)[n:27]2)[c:28]2[o:29][cH:30][cH:31][c:32]12
|
[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[n:13][o:14][c:15](-[c:16]3[cH:17][cH:18][c:19]([O:20][CH:21]([CH3:22])[CH3:23])[c:24]([Cl:25])[cH:26]3)[n:27]2)[c:28]2[o:29][cH:30][cH:31][c:32]12
|
([C;D1;H3:6]-[C:5]-[#8:4]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[c:8])>>(Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5]-[C;D1;H3:6]).([OH;D1;+0:7]-[c:8])
|
737e052b743474448359bc1c49f8b93f626b6dce7005c18dc0dec07f
| 1 | 1 |
CN(C)C=O.CO.O.O=C([O-])[O-].[K+].[K+]
| 123 |
74,774 | 305,609 | 517,622 |
[Br:1][C:2]1[CH:11]=[CH:10][C:5]([C:6](OC)=[O:7])=[C:4]([CH3:12])[CH:3]=1>CCOCC>[Br:1][C:2]1[CH:11]=[CH:10][C:5]([CH2:6][OH:7])=[C:4]([CH3:12])[CH:3]=1
| null |
US06252090B1_
| 2,001 |
CCOCC.CO[C:9]([c:8]1[c:2]([CH3:1])[cH:3][c:4]([Br:5])[cH:6][cH:7]1)=[O:10]>>[CH3:1][c:2]1[cH:3][c:4]([Br:5])[cH:6][cH:7][c:8]1[CH2:9][OH:10]
| 0.90514 |
CCOCC.COC(=O)c1ccc(Br)cc1C>>Cc1cc(Br)ccc1CO
|
CCOCC.COC(=O)c1ccc(Br)cc1C>>Cc1cc(Br)ccc1CO
|
US06252090B1_grants
|
76221e9fbd17e3d64e0610c86e6f15ff89395050e8b317a8809203ee
|
CCOCC.CO[C:9]([c:8]1[c:2]([CH3:1])[cH:3][c:4]([Br:5])[cH:6][cH:7]1)=[O:10]
|
[CH3:1][c:2]1[cH:3][c:4]([Br:5])[cH:6][cH:7][c:8]1[CH2:9][OH:10]
|
([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 |
CCOCC
| 444 |
356,202 | 564,395 | null |
[C:1]([Br:5])(Br)(Br)Br.[CH2:6]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]CO)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>ClCCl>[Br:5][CH2:1][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][O:13][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12]
| null |
US20080095711A1_0081
| 2,008 |
BrC(Br)(Br)[Br:16].ClCCl.O[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][O:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].c1ccc(P(c2ccccc2)c2ccccc2)cc1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][Br:16]
| 0.236084 |
BrC(Br)(Br)Br.CCCCCCCOCCCCCCCO.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CCCCCCCOCCCCCCCBr
|
BrC(Br)(Br)Br.CCCCCCCOCCCCCCCO.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CCCCCCCOCCCCCCCBr
|
US20080095711A1_0081apps
|
ff1caca45861d44d86d47c7b518ff9f4208ceb55d240bb3682c709a3
|
BrC(Br)(Br)[Br:16].ClCCl.O[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][O:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].c1ccc(P(c2ccccc2)c2ccccc2)cc1
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][Br:16]
|
([Br;H0;D1;+0:1]-[CH2;D2;+0:2]-[C:3])>>(Br-C(-Br)(-Br)-[Br;H0;D1;+0:1]).(O-[CH2;D2;+0:2]-[C:3])
|
9bf4542b6ebf1b0dbc776e9c158fdb37e9984a15e06ba7fbdad968ad
| 1 | 1 |
ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1
| 378 |
85,331 | 341,309 | 582,519 |
[C:1]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([CH:16]([CH2:20][CH:21]2[CH2:25][CH2:24][CH2:23][CH2:22]2)[C:17]([OH:19])=O)=[CH:12][CH:11]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.[NH2:53][C:54]1[S:55][CH:56]=[CH:57][N:58]=1.C(N(CC)C(C)C)(C)C>C(Cl)Cl.O>[CH:21]1([CH2:20][CH:16]([C:13]2[CH:14]=[CH:15][C:10]([NH:9][C:1](=[O:8])[C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)=[CH:11][CH:12]=2)[C:17](=[O:19])[NH:53][C:54]2[S:55][CH:56]=[CH:57][N:58]=2)[CH2:25][CH2:24][CH2:23][CH2:22]1
|
|f:1.2|
|
US06489485B2_
| 2,002 |
CCN(C(C)C)C(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.ClCCl.F[P-](F)(F)(F)(F)F.O.O[C:15]([CH:8]([c:7]1[cH:6][cH:5][c:4]([NH:3][C:2](=[O:1])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:24][cH:23]1)[CH2:9][CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14]1)=[O:16].[NH2:17][c:18]1[n:19][cH:20][cH:21][s:22]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([CH:8]([CH2:9][CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[C:15](=[O:16])[NH:17][c:18]2[n:19][cH:20][cH:21][s:22]2)[cH:23][cH:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1
| 0.911257 |
CCN(C(C)C)C(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C~F[P-](F)(F)(F)(F)F.ClCCl.Nc1nccs1.O.O=C(Nc1ccc(C(CC2CCCC2)C(=O)O)cc1)c1ccccc1>>O=C(Nc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1)c1ccccc1
|
CCN(C(C)C)C(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.ClCCl.F[P-](F)(F)(F)(F)F.Nc1nccs1.O.O=C(Nc1ccc(C(CC2CCCC2)C(=O)O)cc1)c1ccccc1>>O=C(Nc1ccc(C(CC2CCCC2)C(=O)Nc2nccs2)cc1)c1ccccc1
|
US06489485B2_grants
|
ed8582bb50e90345b167755bfede41894f5bb0fe7d721b34ddc47038
|
CCN(C(C)C)C(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.ClCCl.F[P-](F)(F)(F)(F)F.O.O[C:15]([CH:8]([c:7]1[cH:6][cH:5][c:4]([NH:3][C:2](=[O:1])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:24][cH:23]1)[CH2:9][CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14]1)=[O:16].[NH2:17][c:18]1[n:19][cH:20][cH:21][s:22]1
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([CH:8]([CH2:9][CH:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[C:15](=[O:16])[NH:17][c:18]2[n:19][cH:20][cH:21][s:22]2)[cH:23][cH:24]1)[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1
|
([#16;a:4]:[c:5](:[#7;a:6])-[NH;D2;+0:7]-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([#16;a:4]:[c:5](:[#7;a:6])-[NH2;D1;+0:7])
|
1915f560d2e2ae3d3a4749f874a47ece1ab8982b05cac2f711ea52be
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.ClCCl.F[P-](F)(F)(F)(F)F.O
| 681 |
277,781 | 910,594 | 1,521,944 |
[OH-].[Na+].C[O:4][C:5](=[O:15])[CH2:6][N:7]1[C:11]([Br:12])=[C:10]([Br:13])[N:9]=[C:8]1[Br:14]>CO>[Br:14][C:8]1[N:7]([CH2:6][C:5]([OH:15])=[O:4])[C:11]([Br:12])=[C:10]([Br:13])[N:9]=1
|
|f:0.1|
|
US08846948B2_0235
| 2,014 |
CO.C[O:3][C:2](=[O:1])[CH2:4][n:5]1[c:6]([Br:7])[n:8][c:9]([Br:10])[c:11]1[Br:12].[Na+].[OH-]>>[O:1]=[C:2]([OH:3])[CH2:4][n:5]1[c:6]([Br:7])[n:8][c:9]([Br:10])[c:11]1[Br:12]
| 0.94474 |
CO.COC(=O)Cn1c(Br)nc(Br)c1Br.[Na+]~[OH-]>>O=C(O)Cn1c(Br)nc(Br)c1Br
|
CO.COC(=O)Cn1c(Br)nc(Br)c1Br.[Na+].[OH-]>>O=C(O)Cn1c(Br)nc(Br)c1Br
|
US08846948B2_0235grants
|
42984bac6496d31251fc21877906d0383ee0a29a7287dfd5d2fb8473
|
CO.C[O:3][C:2](=[O:1])[CH2:4][n:5]1[c:6]([Br:7])[n:8][c:9]([Br:10])[c:11]1[Br:12].[Na+].[OH-]
|
[O:1]=[C:2]([OH:3])[CH2:4][n:5]1[c:6]([Br:7])[n:8][c:9]([Br:10])[c:11]1[Br:12]
|
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
|
0a02d2d47df007d05d29f7b852c5bfe9dcbd7a32224d027cc636bd27
| 1 | 1 |
CO.[Na+].[OH-]
| 88 |
391,073 | 1,168,954 | null |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH2:9][CH2:10][CH2:11][C:12]([OH:14])=O)=[CH:4][CH:3]=1.[CH:15]1([CH2:18][NH:19][CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2[O:27][CH3:28])[CH2:17][CH2:16]1>>[CH:15]1([CH2:18][N:19]([CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=2[O:27][CH3:28])[C:12](=[O:14])[CH2:11][CH2:10][CH2:9][S:8][C:5]2[CH:4]=[CH:3][C:2]([OH:1])=[CH:7][CH:6]=2)[CH2:17][CH2:16]1
| null |
US20120022054A1_0780
| 2,012 |
O[C:15](=[O:16])[CH2:17][CH2:18][CH2:19][S:20][c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:26][cH:27]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][NH:10][CH2:11][CH:12]1[CH2:13][CH2:14]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]([CH2:11][CH:12]1[CH2:13][CH2:14]1)[C:15](=[O:16])[CH2:17][CH2:18][CH2:19][S:20][c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:26][cH:27]1
| 0.843966 |
COc1ccccc1CNCC1CC1.O=C(O)CCCSc1ccc(O)cc1>>COc1ccccc1CN(CC1CC1)C(=O)CCCSc1ccc(O)cc1
|
COc1ccccc1CNCC1CC1.O=C(O)CCCSc1ccc(O)cc1>>COc1ccccc1CN(CC1CC1)C(=O)CCCSc1ccc(O)cc1
|
US20120022054A1_0780apps
|
4a481eadeee2e6f49f3b42712e9386ec6ee4a5b269f0d15f78ee6bc8
|
O[C:15](=[O:16])[CH2:17][CH2:18][CH2:19][S:20][c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:26][cH:27]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][NH:10][CH2:11][CH:12]1[CH2:13][CH2:14]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH2:9][N:10]([CH2:11][CH:12]1[CH2:13][CH2:14]1)[C:15](=[O:16])[CH2:17][CH2:18][CH2:19][S:20][c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:26][cH:27]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)-[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]-[NH;D2;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1)
|
655cb87cba8e72435b48ed88818d784e1bfc42d4a5b4c349f7082a45
| 1 | 1 | null | 633 |
86,169 | 344,343 | 587,786 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13]([C:17]#[C:18][CH2:19][CH2:20][CH2:21][OH:22])=[CH:14][CH:15]=3)[CH:10]=[CH:9]2)=[CH:4][CH:3]=1>CCO>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][OH:22])=[CH:14][CH:15]=3)[CH:10]=[CH:9]2)=[CH:4][CH:3]=1
| null |
US06503907B2_
| 2,003 |
CCO.[OH:1][CH2:2][CH2:3][CH2:4][C:5]#[C:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:12][cH:13][n:14]2-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22]1>>[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:12][cH:13][n:14]2-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22]1
| 0.973112 |
CCO.OCCCC#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1>>OCCCCCc1ccc2c(ccn2-c2ccc(F)cc2)c1
|
CCO.OCCCC#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1>>OCCCCCc1ccc2c(ccn2-c2ccc(F)cc2)c1
|
US06503907B2_grants
|
cf95a5cf6bba33eb2c146924ee63ea3e53e01ec64e5b390ff8fc8042
|
CCO.[OH:1][CH2:2][CH2:3][CH2:4][C:5]#[C:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:12][cH:13][n:14]2-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22]1
|
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([cH:12][cH:13][n:14]2-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22]1
|
([C:1]-[CH2;D2;+0:2]-[CH2;D2;+0:3]-[c:4])>>([C:1]-[C;H0;D2;+0:2]#[C;H0;D2;+0:3]-[c:4])
|
8dbb8a9effea3cc3e28c80db3d19f6691d26307c7f6ad19c624ea9e2
| 1 | 1 |
CCO
| 717 |
157,614 | 559,039 | 933,729 |
[C:1]1([CH:7]([C:9]2[C:17]3[C:12](=[CH:13][N:14]=[CH:15][CH:16]=3)[NH:11][CH:10]=2)[OH:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>C(Cl)Cl.CO>[C:1]1([C:7]([C:9]2[C:17]3[C:12](=[CH:13][N:14]=[CH:15][CH:16]=3)[NH:11][CH:10]=2)=[O:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
|
|f:1.2|
|
US07608627B2_0395
| 2,009 |
CO.ClCCl.[OH:1][CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][nH:11][c:12]2[cH:13][n:14][cH:15][cH:16][c:17]12>>[O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][nH:11][c:12]2[cH:13][n:14][cH:15][cH:16][c:17]12
| 0.955628 |
CO~ClCCl.OC(c1ccccc1)c1c[nH]c2cnccc12>>O=C(c1ccccc1)c1c[nH]c2cnccc12
|
CO.ClCCl.OC(c1ccccc1)c1c[nH]c2cnccc12>>O=C(c1ccccc1)c1c[nH]c2cnccc12
|
US07608627B2_0395grants
|
c1b0bb1bdb9a90c9018e22c5fa86f8eb2cb606f2524ac0fb5e9f4640
|
CO.ClCCl.[OH:1][CH:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][nH:11][c:12]2[cH:13][n:14][cH:15][cH:16][c:17]12
|
[O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[cH:10][nH:11][c:12]2[cH:13][n:14][cH:15][cH:16][c:17]12
|
([#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6])>>([#7;a:1]:[c:2]:[c:3]-[CH;D3;+0:4](-[OH;D1;+0:5])-[c:6])
|
006c9a50b3c2b2f19f17c919532d63cab1c0f8e6f14219e204c4cd24
| 1 | 1 |
CO.ClCCl
| 852 |
274,937 | 901,571 | 1,503,607 |
Cl.[CH:2]1([CH2:5][O:6][C:7]2[CH:12]=[C:11]([O:13][CH3:14])[C:10]([F:15])=[CH:9][C:8]=2[C:16]2[CH:21]=[CH:20][N:19]=[C:18]3[C:22]([C:26]([NH:28][CH:29]4[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]4)=[O:27])=[C:23]([CH3:25])[NH:24][C:17]=23)[CH2:4][CH2:3]1.[CH3:35][O:36][CH2:37][C:38](Cl)=[O:39]>>[CH:2]1([CH2:5][O:6][C:7]2[CH:12]=[C:11]([O:13][CH3:14])[C:10]([F:15])=[CH:9][C:8]=2[C:16]2[CH:21]=[CH:20][N:19]=[C:18]3[C:22]([C:26]([NH:28][CH:29]4[CH2:30][CH2:31][N:32]([C:38](=[O:39])[CH2:37][O:36][CH3:35])[CH2:33][CH2:34]4)=[O:27])=[C:23]([CH3:25])[NH:24][C:17]=23)[CH2:4][CH2:3]1
|
|f:0.1|
|
US08816085B2_1871
| 2,014 |
Cl.Cl[C:4]([CH2:3][O:2][CH3:1])=[O:5].[NH:6]1[CH2:7][CH2:8][CH:9]([NH:10][C:11](=[O:12])[c:13]2[c:14]([CH3:15])[nH:16][c:17]3[c:18](-[c:19]4[cH:20][c:21]([F:22])[c:23]([O:24][CH3:25])[cH:26][c:27]4[O:28][CH2:29][CH:30]4[CH2:31][CH2:32]4)[cH:33][cH:34][n:35][c:36]23)[CH2:37][CH2:38]1>>[CH3:1][O:2][CH2:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([NH:10][C:11](=[O:12])[c:13]2[c:14]([CH3:15])[nH:16][c:17]3[c:18](-[c:19]4[cH:20][c:21]([F:22])[c:23]([O:24][CH3:25])[cH:26][c:27]4[O:28][CH2:29][CH:30]4[CH2:31][CH2:32]4)[cH:33][cH:34][n:35][c:36]23)[CH2:37][CH2:38]1
| 0.941879 |
COCC(=O)Cl.COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F~Cl>>COCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ccnc23)CC1
|
COCC(=O)Cl.COc1cc(OCC2CC2)c(-c2ccnc3c(C(=O)NC4CCNCC4)c(C)[nH]c23)cc1F.Cl>>COCC(=O)N1CCC(NC(=O)c2c(C)[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ccnc23)CC1
|
US08816085B2_1871grants
|
7d2cf03d9ad38a34279752ada0e5fff97f893939a276c82212d16f63
|
Cl.Cl[C:4]([CH2:3][O:2][CH3:1])=[O:5].[NH:6]1[CH2:7][CH2:8][CH:9]([NH:10][C:11](=[O:12])[c:13]2[c:14]([CH3:15])[nH:16][c:17]3[c:18](-[c:19]4[cH:20][c:21]([F:22])[c:23]([O:24][CH3:25])[cH:26][c:27]4[O:28][CH2:29][CH:30]4[CH2:31][CH2:32]4)[cH:33][cH:34][n:35][c:36]23)[CH2:37][CH2:38]1
|
[CH3:1][O:2][CH2:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][CH:9]([NH:10][C:11](=[O:12])[c:13]2[c:14]([CH3:15])[nH:16][c:17]3[c:18](-[c:19]4[cH:20][c:21]([F:22])[c:23]([O:24][CH3:25])[cH:26][c:27]4[O:28][CH2:29][CH:30]4[CH2:31][CH2:32]4)[cH:33][cH:34][n:35][c:36]23)[CH2:37][CH2:38]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
58bfc612ddb3c3923670b0fade9423da56792769e45e6b088debac9e
| 1 | 1 |
Cl
| 125 |
95,106 | 370,416 | 632,297 |
Cl[C:2]1[C:7]([C:8]#[N:9])=[C:6]([NH:10][CH2:11][CH2:12][OH:13])[N:5]=[C:4]([NH:14][CH2:15][CH2:16][OH:17])[N:3]=1.[CH3:18][O:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[CH:26]1[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1.C(N(C(C)C)C(C)C)C>O1CCOCC1>[OH:17][CH2:16][CH2:15][NH:14][C:4]1[N:5]=[C:6]([NH:10][CH2:11][CH2:12][OH:13])[C:7]([C:8]#[N:9])=[C:2]([N:29]2[CH2:30][CH2:31][CH:26]([C:21]3[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=3[O:19][CH3:18])[CH2:27][CH2:28]2)[N:3]=1
| null |
US06673795B2_
| 2,004 |
C1COCCO1.CCN(C(C)C)C(C)C.Cl[c:13]1[n:14][c:15]([NH:16][CH2:17][CH2:18][OH:19])[n:20][c:21]([NH:22][CH2:23][CH2:24][OH:25])[c:26]1[C:27]#[N:28].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH:9]1[CH2:10][CH2:11][NH:12][CH2:29][CH2:30]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH:9]1[CH2:10][CH2:11][N:12]([c:13]2[n:14][c:15]([NH:16][CH2:17][CH2:18][OH:19])[n:20][c:21]([NH:22][CH2:23][CH2:24][OH:25])[c:26]2[C:27]#[N:28])[CH2:29][CH2:30]1
| 0.872492 |
C1COCCO1.CCN(C(C)C)C(C)C.COc1ccccc1C1CCNCC1.N#Cc1c(Cl)nc(NCCO)nc1NCCO>>COc1ccccc1C1CCN(c2nc(NCCO)nc(NCCO)c2C#N)CC1
|
C1COCCO1.CCN(C(C)C)C(C)C.COc1ccccc1C1CCNCC1.N#Cc1c(Cl)nc(NCCO)nc1NCCO>>COc1ccccc1C1CCN(c2nc(NCCO)nc(NCCO)c2C#N)CC1
|
US06673795B2_grants
|
c24747bcfe84d53917d12163e490379d8b83c86eb61851b18a55e816
|
C1COCCO1.CCN(C(C)C)C(C)C.Cl[c:13]1[n:14][c:15]([NH:16][CH2:17][CH2:18][OH:19])[n:20][c:21]([NH:22][CH2:23][CH2:24][OH:25])[c:26]1[C:27]#[N:28].[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH:9]1[CH2:10][CH2:11][NH:12][CH2:29][CH2:30]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[CH:9]1[CH2:10][CH2:11][N:12]([c:13]2[n:14][c:15]([NH:16][CH2:17][CH2:18][OH:19])[n:20][c:21]([NH:22][CH2:23][CH2:24][OH:25])[c:26]2[C:27]#[N:28])[CH2:29][CH2:30]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3]:[c:4]:[#7;a:5])-[N;H0;D3;+0:7](-[C:6])-[C:8])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]:[c:4]:[#7;a:5]).([C:6]-[NH;D2;+0:7]-[C:8])
|
7abe7d6642519f8bc63e07cb635f20a37b417a17e1b8cf6669f40ef0
| 1 | 1 |
C1COCCO1.CCN(C(C)C)C(C)C
| 296 |
354,379 | 536,291 | null |
[Cl:1][C:2]1[C:3]([O:12][C:13]2[CH:18]=[C:17]([O:19][CH2:20][CH2:21][C:22]3([CH3:27])[O:26][CH2:25][CH2:24][O:23]3)[CH:16]=[CH:15][C:14]=2/[CH:28]=[CH:29]/[C:30]([O:32]CC)=[O:31])=[N:4][CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.O1CCCC1.[OH-].[Na+].Cl>O.C(O)C>[Cl:1][C:2]1[C:3]([O:12][C:13]2[CH:18]=[C:17]([O:19][CH2:20][CH2:21][C:22]3([CH3:27])[O:26][CH2:25][CH2:24][O:23]3)[CH:16]=[CH:15][C:14]=2/[CH:28]=[CH:29]/[C:30]([OH:32])=[O:31])=[N:4][CH:5]=[C:6]([C:8]([F:10])([F:9])[F:11])[CH:7]=1
|
|f:2.3|
|
US20080009530A1_1029
| 2,008 |
C1CCOC1.CCO.CC[O:14][C:12](/[CH:11]=[CH:10]/[c:9]1[cH:8][cH:7][c:6]([O:5][CH2:4][CH2:3][C:2]2([CH3:1])[O:29][CH2:30][CH2:31][O:32]2)[cH:28][c:15]1[O:16][c:17]1[n:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]1[Cl:27])=[O:13].Cl.O.[Na+].[OH-]>>[CH3:1][C:2]1([CH2:3][CH2:4][O:5][c:6]2[cH:7][cH:8][c:9](/[CH:10]=[CH:11]/[C:12](=[O:13])[OH:14])[c:15]([O:16][c:17]3[n:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]3[Cl:27])[cH:28]2)[O:29][CH2:30][CH2:31][O:32]1
| 0.233248 |
C1CCOC1.CCO.CCOC(=O)/C=C/c1ccc(OCCC2(C)OCCO2)cc1Oc1ncc(C(F)(F)F)cc1Cl.Cl.O.[Na+]~[OH-]>>CC1(CCOc2ccc(/C=C/C(=O)O)c(Oc3ncc(C(F)(F)F)cc3Cl)c2)OCCO1
|
C1CCOC1.CCO.CCOC(=O)/C=C/c1ccc(OCCC2(C)OCCO2)cc1Oc1ncc(C(F)(F)F)cc1Cl.Cl.O.[Na+].[OH-]>>CC1(CCOc2ccc(/C=C/C(=O)O)c(Oc3ncc(C(F)(F)F)cc3Cl)c2)OCCO1
|
US20080009530A1_1029apps
|
07d6f4c532c3fe10f4276088a45c0022ee6175dad700c6ff89de5ce6
|
C1CCOC1.CCO.CC[O:14][C:12](/[CH:11]=[CH:10]/[c:9]1[cH:8][cH:7][c:6]([O:5][CH2:4][CH2:3][C:2]2([CH3:1])[O:29][CH2:30][CH2:31][O:32]2)[cH:28][c:15]1[O:16][c:17]1[n:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]1[Cl:27])=[O:13].Cl.O.[Na+].[OH-]
|
[CH3:1][C:2]1([CH2:3][CH2:4][O:5][c:6]2[cH:7][cH:8][c:9](/[CH:10]=[CH:11]/[C:12](=[O:13])[OH:14])[c:15]([O:16][c:17]3[n:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][c:26]3[Cl:27])[cH:28]2)[O:29][CH2:30][CH2:31][O:32]1
|
([C:5]=[C:4]/[C:2](=[O;D1;H0:3])-[OH;D1;+0:1])>>(C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])/[C:4]=[C:5])
|
f7700dd7b87e14473011f502e59081e27e0a155719b46e62ad2ee91c
| 1 | 1 |
C1CCOC1.CCO.Cl.O.[Na+].[OH-]
| 122 |
162,750 | 574,012 | 956,541 |
[Cl:1][C:2]1[C:3]([O:33]C)=[C:4]2[C:9](=[CH:10][C:11]=1[CH3:12])[CH:8]([NH:13][C:14]1[CH:23]=[CH:22][C:21]([F:24])=[C:20]3[C:15]=1[CH:16]=[N:17][C:18]([CH3:25])=[N:19]3)[C:7]([C:27]([F:30])([F:29])[F:28])([OH:26])[CH2:6][C:5]2([CH3:32])[CH3:31].B(Br)(Br)Br.C(=O)(O)[O-].[Na+]>ClCCl.C(OCC)(=O)C>[Cl:1][C:2]1[C:11]([CH3:12])=[CH:10][C:9]2[CH:8]([NH:13][C:14]3[CH:23]=[CH:22][C:21]([F:24])=[C:20]4[C:15]=3[CH:16]=[N:17][C:18]([CH3:25])=[N:19]4)[C:7]([C:27]([F:28])([F:29])[F:30])([OH:26])[CH2:6][C:5]([CH3:31])([CH3:32])[C:4]=2[C:3]=1[OH:33]
|
|f:2.3|
|
US07659297B2_1473
| 2,010 |
BrB(Br)Br.CCOC(C)=O.C[O:16][c:15]1[c:13]([Cl:14])[c:11]([CH3:12])[cH:10][c:9]2[c:17]1[C:18]([CH3:19])([CH3:20])[CH2:21][C:22]([OH:23])([C:24]([F:25])([F:26])[F:27])[CH:8]2[NH:7][c:6]1[c:5]2[cH:4][n:3][c:2]([CH3:1])[n:33][c:32]2[c:30]([F:31])[cH:29][cH:28]1.ClCCl.O=C([O-])O.[Na+]>>[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]([NH:7][CH:8]3[c:9]4[cH:10][c:11]([CH3:12])[c:13]([Cl:14])[c:15]([OH:16])[c:17]4[C:18]([CH3:19])([CH3:20])[CH2:21][C:22]3([OH:23])[C:24]([F:25])([F:26])[F:27])[cH:28][cH:29][c:30]([F:31])[c:32]2[n:33]1
| 0.301091 |
BrB(Br)Br.CCOC(C)=O.COc1c(Cl)c(C)cc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1ccc(F)c2nc(C)ncc12.ClCCl.O=C([O-])O~[Na+]>>Cc1ncc2c(NC3c4cc(C)c(Cl)c(O)c4C(C)(C)CC3(O)C(F)(F)F)ccc(F)c2n1
|
BrB(Br)Br.CCOC(C)=O.COc1c(Cl)c(C)cc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1ccc(F)c2nc(C)ncc12.ClCCl.O=C([O-])O.[Na+]>>Cc1ncc2c(NC3c4cc(C)c(Cl)c(O)c4C(C)(C)CC3(O)C(F)(F)F)ccc(F)c2n1
|
US07659297B2_1473grants
|
2d6e81f31f54bc68434241da3c8ede534f672d8eb5ae9d44ba0c0186
|
BrB(Br)Br.CCOC(C)=O.C[O:16][c:15]1[c:13]([Cl:14])[c:11]([CH3:12])[cH:10][c:9]2[c:17]1[C:18]([CH3:19])([CH3:20])[CH2:21][C:22]([OH:23])([C:24]([F:25])([F:26])[F:27])[CH:8]2[NH:7][c:6]1[c:5]2[cH:4][n:3][c:2]([CH3:1])[n:33][c:32]2[c:30]([F:31])[cH:29][cH:28]1.ClCCl.O=C([O-])O.[Na+]
|
[CH3:1][c:2]1[n:3][cH:4][c:5]2[c:6]([NH:7][CH:8]3[c:9]4[cH:10][c:11]([CH3:12])[c:13]([Cl:14])[c:15]([OH:16])[c:17]4[C:18]([CH3:19])([CH3:20])[CH2:21][C:22]3([OH:23])[C:24]([F:25])([F:26])[F:27])[cH:28][cH:29][c:30]([F:31])[c:32]2[n:33]1
|
([#7:8]-[C:7]-[c:6]1:[c:5]:[c:4]:[c:3]:[c:2](-[OH;D1;+0:1]):[c:9]:1)>>(C-[O;H0;D2;+0:1]-[c:2]1:[c:3]:[c:4]:[c:5]:[c:6](-[C:7]-[#7:8]):[c:9]:1)
|
735302c4fd85968488b67735f15b4e248b889e40de03051ef8617065
| 1 | 1 |
BrB(Br)Br.CCOC(C)=O.ClCCl.O=C([O-])O.[Na+]
| 732 |
229,565 | 768,230 | 1,266,726 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9](=[O:23])[C:10]([CH3:22])([CH3:21])[O:11][C:12]=2[C:13]2[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].CN(C=O)C.Cl[CH2:36][C:37]1[C:42]([CH3:43])=[CH:41][C:40]([CH3:44])=[CH:39][N:38]=1>O>[CH3:43][C:42]1[C:37]([CH2:36][O:1][C:2]2[CH:3]=[CH:4][C:5]([C:8]3[C:9](=[O:23])[C:10]([CH3:21])([CH3:22])[O:11][C:12]=3[C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)=[CH:6][CH:7]=2)=[N:38][CH:39]=[C:40]([CH3:44])[CH:41]=1
|
|f:1.2.3|
|
US08343973B2_0246
| 2,013 |
CN(C)C=O.Cl[CH2:14][c:15]1[n:16][cH:17][c:18]([CH3:19])[cH:20][c:21]1[CH3:22].O.O=C([O-])[O-].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]2=[C:8]([c:9]3[cH:10][cH:11][c:12]([OH:13])[cH:23][cH:24]3)[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:31][cH:32]1.[Cs+].[Cs+]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]2=[C:8]([c:9]3[cH:10][cH:11][c:12]([O:13][CH2:14][c:15]4[n:16][cH:17][c:18]([CH3:19])[cH:20][c:21]4[CH3:22])[cH:23][cH:24]3)[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:31][cH:32]1
| 0.63113 |
CN(C)C=O.COc1ccc(C2=C(c3ccc(O)cc3)C(=O)C(C)(C)O2)cc1.Cc1cnc(CCl)c(C)c1.O.O=C([O-])[O-]~[Cs+]~[Cs+]>>COc1ccc(C2=C(c3ccc(OCc4ncc(C)cc4C)cc3)C(=O)C(C)(C)O2)cc1
|
CN(C)C=O.COc1ccc(C2=C(c3ccc(O)cc3)C(=O)C(C)(C)O2)cc1.Cc1cnc(CCl)c(C)c1.O.O=C([O-])[O-].[Cs+].[Cs+]>>COc1ccc(C2=C(c3ccc(OCc4ncc(C)cc4C)cc3)C(=O)C(C)(C)O2)cc1
|
US08343973B2_0246grants
|
47a6ab4c868b7bb2c4953e7fe698503f184f40c0f6c834b67bfee4d7
|
CN(C)C=O.Cl[CH2:14][c:15]1[n:16][cH:17][c:18]([CH3:19])[cH:20][c:21]1[CH3:22].O.O=C([O-])[O-].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]2=[C:8]([c:9]3[cH:10][cH:11][c:12]([OH:13])[cH:23][cH:24]3)[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:31][cH:32]1.[Cs+].[Cs+]
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7]2=[C:8]([c:9]3[cH:10][cH:11][c:12]([O:13][CH2:14][c:15]4[n:16][cH:17][c:18]([CH3:19])[cH:20][c:21]4[CH3:22])[cH:23][cH:24]3)[C:25](=[O:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:31][cH:32]1
|
([#7;a:3]:[c:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:4]-[c:5])>>(Cl-[CH2;D2;+0:1]-[c:2]:[#7;a:3]).([OH;D1;+0:4]-[c:5])
|
8ec77fc6c3e7715b8aa945dadf6af1b3ab70a216821d885b16245b73
| 1 | 1 |
CN(C)C=O.O.O=C([O-])[O-].[Cs+].[Cs+]
| 616 |
439,992 | 1,906,964 | null |
N#N.[Br:3][C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][C:5]=1[F:11].[Br:12]N1C(=O)CCC1=O.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>C(C#N)(C)=O>[Br:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][Br:12])=[CH:6][C:5]=1[F:11]
| null |
US20160200686A1_1053
| 2,016 |
CC(=O)C#N.N#N.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1[Br:6].[F:1][c:2]1[cH:3][c:4]([CH3:5])[cH:7][cH:8][c:9]1[Br:10]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][Br:6])[cH:7][cH:8][c:9]1[Br:10]
| 0.991811 |
CC(=O)C#N.Cc1ccc(Br)c(F)c1.N#N.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1Br>>Fc1cc(CBr)ccc1Br
|
CC(=O)C#N.Cc1ccc(Br)c(F)c1.N#N.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1Br>>Fc1cc(CBr)ccc1Br
|
US20160200686A1_1053apps
|
bc0100ac328f0cc7eda7ff51d155b2cc187db14ac7c21d929d768ee9
|
CC(=O)C#N.N#N.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1[Br:6].[F:1][c:2]1[cH:3][c:4]([CH3:5])[cH:7][cH:8][c:9]1[Br:10]
|
[F:1][c:2]1[cH:3][c:4]([CH2:5][Br:6])[cH:7][cH:8][c:9]1[Br:10]
|
([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 |
CC(=O)C#N.N#N.O=C(OOC(=O)c1ccccc1)c1ccccc1
| 29 |
341,385 | 330,706 | null |
[C:1]1([S:7](Cl)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CCN(C(C)C)C(C)C.FC(F)(F)C(O)=O.[NH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH:33][C:34]([CH2:36][S:37][C:38](=[O:40])[CH3:39])=[O:35].C(O)C(N)(CO)CO>C(Cl)Cl.C(OCC)(=O)C>[C:1]1([S:7]([NH:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][NH:33][C:34]([CH2:36][S:37][C:38](=[O:40])[CH3:39])=[O:35])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
|
|f:2.3|
|
US20060047123A1_0241
| 2,006 |
CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.Cl[S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.NC(CO)(CO)CO.O=C(O)C(F)(F)F.[CH3:1][C:2](=[O:3])[S:4][CH2:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][NH2:14]>>[CH3:1][C:2](=[O:3])[S:4][CH2:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][NH:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1
| 0.616351 |
CC(=O)SCC(=O)NCCCCCN~O=C(O)C(F)(F)F.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.NC(CO)(CO)CO.O=S(=O)(Cl)c1ccccc1>>CC(=O)SCC(=O)NCCCCCNS(=O)(=O)c1ccccc1
|
CC(=O)SCC(=O)NCCCCCN.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.NC(CO)(CO)CO.O=C(O)C(F)(F)F.O=S(=O)(Cl)c1ccccc1>>CC(=O)SCC(=O)NCCCCCNS(=O)(=O)c1ccccc1
|
US20060047123A1_0241apps
|
d4bd4f595a7a4a15434d892c15055c4c729168e9637f7bdf5c72814b
|
CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.Cl[S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.NC(CO)(CO)CO.O=C(O)C(F)(F)F.[CH3:1][C:2](=[O:3])[S:4][CH2:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][NH2:14]
|
[CH3:1][C:2](=[O:3])[S:4][CH2:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][NH:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]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(C(C)C)C(C)C.CCOC(C)=O.ClCCl.NC(CO)(CO)CO.O=C(O)C(F)(F)F
| 43 |
396,373 | 1,285,800 | null |
C([O:8][C:9]1[CH:10]=[N:11][C:12]([C:15]2[CH:16]=[C:17]([CH:34]=[CH:35][CH:36]=2)[CH2:18][C:19]2[C:24](=[O:25])[CH:23]=[CH:22][N:21]([C:26]3[CH:31]=[CH:30][C:29]([F:32])=[C:28]([F:33])[CH:27]=3)[N:20]=2)=[N:13][CH:14]=1)C1C=CC=CC=1.B(Br)(Br)Br.CO>C(Cl)Cl>[F:33][C:28]1[CH:27]=[C:26]([N:21]2[CH:22]=[CH:23][C:24](=[O:25])[C:19]([CH2:18][C:17]3[CH:34]=[CH:35][CH:36]=[C:15]([C:12]4[N:13]=[CH:14][C:9]([OH:8])=[CH:10][N:11]=4)[CH:16]=3)=[N:20]2)[CH:31]=[CH:30][C:29]=1[F:32]
| null |
US20120264735A1_1328
| 2,012 |
BrB(Br)Br.CO.ClCCl.c1ccc(C[O:26][c:25]2[cH:24][n:23][c:22](-[c:21]3[cH:20][cH:19][cH:18][c:17]([CH2:16][c:15]4[c:2](=[O:1])[cH:3][cH:4][n:5](-[c:6]5[cH:7][cH:8][c:9]([F:10])[c:11]([F:12])[cH:13]5)[n:14]4)[cH:29]3)[n:28][cH:27]2)cc1>>[O:1]=[c:2]1[cH:3][cH:4][n:5](-[c:6]2[cH:7][cH:8][c:9]([F:10])[c:11]([F:12])[cH:13]2)[n:14][c:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][c:21](-[c:22]2[n:23][cH:24][c:25]([OH:26])[cH:27][n:28]2)[cH:29]1
| 0.945774 |
BrB(Br)Br.CO.ClCCl.O=c1ccn(-c2ccc(F)c(F)c2)nc1Cc1cccc(-c2ncc(OCc3ccccc3)cn2)c1>>O=c1ccn(-c2ccc(F)c(F)c2)nc1Cc1cccc(-c2ncc(O)cn2)c1
|
BrB(Br)Br.CO.ClCCl.O=c1ccn(-c2ccc(F)c(F)c2)nc1Cc1cccc(-c2ncc(OCc3ccccc3)cn2)c1>>O=c1ccn(-c2ccc(F)c(F)c2)nc1Cc1cccc(-c2ncc(O)cn2)c1
|
US20120264735A1_1328apps
|
143ce8c92c019b5f4e96cd9ebaa2a5fb68a19c93dd3b281167447b4a
|
BrB(Br)Br.CO.ClCCl.c1ccc(C[O:26][c:25]2[cH:24][n:23][c:22](-[c:21]3[cH:20][cH:19][cH:18][c:17]([CH2:16][c:15]4[c:2](=[O:1])[cH:3][cH:4][n:5](-[c:6]5[cH:7][cH:8][c:9]([F:10])[c:11]([F:12])[cH:13]5)[n:14]4)[cH:29]3)[n:28][cH:27]2)cc1
|
[O:1]=[c:2]1[cH:3][cH:4][n:5](-[c:6]2[cH:7][cH:8][c:9]([F:10])[c:11]([F:12])[cH:13]2)[n:14][c:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][c:21](-[c:22]2[n:23][cH:24][c:25]([OH:26])[cH:27][n:28]2)[cH:29]1
|
([#7;a:1]:[c:2]:[c:3](-[OH;D1;+0:4]):[c:5]:[#7;a:6])>>([#7;a:1]:[c:2]:[c:3](-[O;H0;D2;+0:4]-C-c1:c:c:c:c:c:1):[c:5]:[#7;a:6])
|
e000fce97086c55115a4a1837aa943341b4d53eb2c4b8f4dc7673de7
| 1 | 1 |
BrB(Br)Br.CO.ClCCl
| 492 |
203,413 | 692,258 | 1,141,495 |
C1COCC1.O.[O:7]1[CH2:12][CH2:11][O:10][C:9]2[CH:13]=[CH:14][C:15]([CH:17]([CH3:23])[C:18]([O:20]CC)=[O:19])=[CH:16][C:8]1=2.[OH-].[Na+].C(O)(=O)C>O>[O:7]1[CH2:12][CH2:11][O:10][C:9]2[CH:13]=[CH:14][C:15]([CH:17]([CH3:23])[C:18]([OH:20])=[O:19])=[CH:16][C:8]1=2
|
|f:0.1,3.4|
|
US08084484B2_0461
| 2,011 |
C1CCOC1.CC(=O)O.CC[O:5][C:3]([CH:2]([CH3:1])[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:11]1)[O:12][CH2:13][CH2:14][O:15]2)=[O:4].O.O.[Na+].[OH-]>>[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:11]1)[O:12][CH2:13][CH2:14][O:15]2
| 0.911651 |
C1CCOC1~O.CC(=O)O.CCOC(=O)C(C)c1ccc2c(c1)OCCO2.O.[Na+]~[OH-]>>CC(C(=O)O)c1ccc2c(c1)OCCO2
|
C1CCOC1.CC(=O)O.CCOC(=O)C(C)c1ccc2c(c1)OCCO2.O.O.[Na+].[OH-]>>CC(C(=O)O)c1ccc2c(c1)OCCO2
|
US08084484B2_0461grants
|
1c196ae03a8a5327a5add079276551c4519240b49d6de2f8da75bdba
|
C1CCOC1.CC(=O)O.CC[O:5][C:3]([CH:2]([CH3:1])[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:11]1)[O:12][CH2:13][CH2:14][O:15]2)=[O:4].O.O.[Na+].[OH-]
|
[CH3:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][cH:8][c:9]2[c:10]([cH:11]1)[O:12][CH2:13][CH2:14][O:15]2
|
([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 |
C1CCOC1.CC(=O)O.O.O.[Na+].[OH-]
| 7 |
126,728 | 466,245 | 789,287 |
C([O-])(O)=O.[Na+].[NH2:6][C:7]1[CH:12]=[CH:11][C:10]([NH:13][C:14](=[O:37])[C:15]2[CH:20]=[CH:19][C:18]([O:21][CH2:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:17][C:16]=2[O:29][CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[C:9]([OH:38])[CH:8]=1.[N:39]1[C:46]([Cl:47])=[N:45][C:43](Cl)=[N:42][C:40]=1[Cl:41]>C1COCC1>[CH2:30]([O:29][C:16]1[CH:17]=[C:18]([O:21][CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH:19]=[CH:20][C:15]=1[C:14]([NH:13][C:10]1[CH:11]=[CH:12][C:7]([NH:6][C:43]2[N:45]=[C:46]([Cl:47])[N:39]=[C:40]([Cl:41])[N:42]=2)=[CH:8][C:9]=1[OH:38])=[O:37])[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1
|
|f:0.1|
|
US07223759B2_0351
| 2,007 |
C1CCOC1.Cl[c:9]1[n:10][c:11]([Cl:12])[n:13][c:14]([Cl:15])[n:16]1.O=C([O-])O.[Na+].[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:17][c:18]1[OH:19])[c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][c:33]1[O:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([NH:8][c:9]2[n:10][c:11]([Cl:12])[n:13][c:14]([Cl:15])[n:16]2)[cH:17][c:18]1[OH:19])[c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][c:33]1[O:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1
| 0.249986 |
C1CCOC1.Clc1nc(Cl)nc(Cl)n1.Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(O)c1.O=C([O-])O~[Na+]>>O=C(Nc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
|
C1CCOC1.Clc1nc(Cl)nc(Cl)n1.Nc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(O)c1.O=C([O-])O.[Na+]>>O=C(Nc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
|
US07223759B2_0351grants
|
529465a946f6ac6554c51fcb2e2a718493006fa16f18125f8c68bd30
|
C1CCOC1.Cl[c:9]1[n:10][c:11]([Cl:12])[n:13][c:14]([Cl:15])[n:16]1.O=C([O-])O.[Na+].[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([NH2:8])[cH:17][c:18]1[OH:19])[c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][c:33]1[O:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7]([NH:8][c:9]2[n:10][c:11]([Cl:12])[n:13][c:14]([Cl:15])[n:16]2)[cH:17][c:18]1[OH:19])[c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][c:33]1[O:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3]:[c:4]:[#7;a:5])-[NH;D2;+0:6]-[c:7])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]:[c:4]:[#7;a:5]).([NH2;D1;+0:6]-[c:7])
|
0e850cbc34a60e997159d0df0ec0cd6eb6a5d95f1ed7468c3fa2781c
| 1 | 1 |
C1CCOC1.O=C([O-])O.[Na+]
| 592 |
7,692 | 39,603 | 63,004 |
CCN[C:4]1[N:9]=[C:8]([Cl:10])[N:7]=[C:6]([NH:11][CH:12]([CH3:14])[CH3:13])[N:5]=1.N1C(Cl)=NC(Cl)=NC=1[Cl:17].C(N)(C)C.[OH-].[Na+]>>[Cl:10][C:8]1[N:9]=[C:4]([Cl:17])[N:5]=[C:6]([NH:11][CH:12]([CH3:14])[CH3:13])[N:7]=1
|
|f:3.4|
|
US04182875_
| 1,980 |
CCNc1nc(Cl)nc(NC(C)C)n1.Cl[c:5]1[n:6][c:7]([Cl:8])[n:9][c:10]([Cl:11])[n:12]1.[CH3:1][CH:2]([CH3:3])[NH2:4].[Na+].[OH-]>>[CH3:1][CH:2]([CH3:3])[NH:4][c:5]1[n:6][c:7]([Cl:8])[n:9][c:10]([Cl:11])[n:12]1
| 0.187068 |
CC(C)N.CCNc1nc(Cl)nc(NC(C)C)n1.Clc1nc(Cl)nc(Cl)n1.[Na+]~[OH-]>>CC(C)Nc1nc(Cl)nc(Cl)n1
|
CC(C)N.CCNc1nc(Cl)nc(NC(C)C)n1.Clc1nc(Cl)nc(Cl)n1.[Na+].[OH-]>>CC(C)Nc1nc(Cl)nc(Cl)n1
|
US04182875_grants
|
3c0ada9e43c9f2cc4b651a995f3e0b27f3047d1151cb4e4ce47a7236
|
CCNc1nc(Cl)nc(NC(C)C)n1.Cl[c:5]1[n:6][c:7]([Cl:8])[n:9][c:10]([Cl:11])[n:12]1.[CH3:1][CH:2]([CH3:3])[NH2:4].[Na+].[OH-]
|
[CH3:1][CH:2]([CH3:3])[NH:4][c:5]1[n:6][c:7]([Cl:8])[n:9][c:10]([Cl:11])[n:12]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3]:[c:4]:[#7;a:5])-[NH;D2;+0:7]-[C:6])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]:[c:4]:[#7;a:5]).([C:6]-[NH2;D1;+0:7])
|
0b588855c6f0ec8e6e2a3fd38e0eeb9f125fc40378b70cf60a109be1
| 1 | 1 |
CCNc1nc(Cl)nc(NC(C)C)n1.[Na+].[OH-]
| 578 |
118,569 | 441,744 | 751,175 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[O:8][CH2:9][CH2:10]Cl.[OH:12][CH:13]1[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1>>[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[O:8][CH2:9][CH2:10][N:16]1[CH2:17][CH2:18][CH:13]([OH:12])[CH2:14][CH2:15]1
| null |
US07125896B2_0933
| 2,006 |
Cl[CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[Br:15].[OH:1][CH:2]1[CH2:3][CH2:4][NH:5][CH2:16][CH2:17]1>>[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[Br:15])[CH2:16][CH2:17]1
| 0.97476 |
ClCCOc1ccccc1Br.OC1CCNCC1>>OC1CCN(CCOc2ccccc2Br)CC1
|
ClCCOc1ccccc1Br.OC1CCNCC1>>OC1CCN(CCOc2ccccc2Br)CC1
|
US07125896B2_0933grants
|
772aded56cd856885fb6e699545cfd026604448b416f3477c01159a3
|
Cl[CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[Br:15].[OH:1][CH:2]1[CH2:3][CH2:4][NH:5][CH2:16][CH2:17]1
|
[OH:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[Br:15])[CH2:16][CH2:17]1
|
([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])
|
c38df6bb72f417e54d2346e687e032ed86554f208af48effa9422912
| 0.5 | 2 | null | 138 |
414,298 | 1,698,267 | null |
[CH2:1]([S:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][C:5]=1[NH:14][NH2:15])[CH3:2].[Cl:16][C:17]1[CH:18]=[C:19]([CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:25]=1)[C:20](O)=[O:21]>>[Cl:16][C:17]1[CH:18]=[C:19]([CH:23]=[C:24]([C:26]([F:27])([F:28])[F:29])[CH:25]=1)[C:20]([NH:15][NH:14][C:5]1[CH:6]=[C:7]([C:10]([F:12])([F:13])[F:11])[CH:8]=[CH:9][C:4]=1[S:3][CH2:1][CH3:2])=[O:21]
| null |
US20150152047A1_2070
| 2,015 |
O[C:16](=[O:17])[c:18]1[cH:19][c:20]([Cl:21])[cH:22][c:23]([C:24]([F:25])([F:26])[F:27])[cH:28]1.[CH3:1][CH2:2][S:3][c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]1[NH:14][NH2:15]>>[CH3:1][CH2:2][S:3][c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]1[NH:14][NH:15][C:16](=[O:17])[c:18]1[cH:19][c:20]([Cl:21])[cH:22][c:23]([C:24]([F:25])([F:26])[F:27])[cH:28]1
| 0.098812 |
CCSc1ccc(C(F)(F)F)cc1NN.O=C(O)c1cc(Cl)cc(C(F)(F)F)c1>>CCSc1ccc(C(F)(F)F)cc1NNC(=O)c1cc(Cl)cc(C(F)(F)F)c1
|
CCSc1ccc(C(F)(F)F)cc1NN.O=C(O)c1cc(Cl)cc(C(F)(F)F)c1>>CCSc1ccc(C(F)(F)F)cc1NNC(=O)c1cc(Cl)cc(C(F)(F)F)c1
|
US20150152047A1_2070apps
|
033f057ecd33f8aedce97e7eb1b4dae9e5d9a9745b11055992d1c3e7
|
O[C:16](=[O:17])[c:18]1[cH:19][c:20]([Cl:21])[cH:22][c:23]([C:24]([F:25])([F:26])[F:27])[cH:28]1.[CH3:1][CH2:2][S:3][c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]1[NH:14][NH2:15]
|
[CH3:1][CH2:2][S:3][c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]1[NH:14][NH:15][C:16](=[O:17])[c:18]1[cH:19][c:20]([Cl:21])[cH:22][c:23]([C:24]([F:25])([F:26])[F:27])[cH:28]1
|
([#7:4]-[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]).([#7:4]-[NH2;D1;+0:5])
|
ddcdb41d63c033d30ea62d6e50cd89d6bfca0813501037085964693f
| 1 | 1 | null | 55 |
36,994 | 166,896 | 267,701 |
[OH-].[Na+].[OH:3][C:4]1[C:13]2[C:8](=[C:9]([OH:14])[CH:10]=[CH:11][CH:12]=2)[CH:7]=[CH:6][CH:5]=1.[CH2:15](I)[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24]>C(O)C>[CH2:15]([O:3][C:4]1[CH:5]=[CH:6][CH:7]=[C:8]2[C:13]=1[CH:12]=[CH:11][CH:10]=[C:9]2[OH:14])[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24]
|
|f:0.1|
|
US05194389_
| 1,993 |
CCO.I[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[Na+].[OH-].[OH:11][c:12]1[cH:13][cH:14][cH:15][c:16]2[c:17]([OH:18])[cH:19][cH:20][cH:21][c:22]12>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][cH:15][c:16]2[c:17]([OH:18])[cH:19][cH:20][cH:21][c:22]12
| 0.842784 |
CCCCCCCCCCI.CCO.Oc1cccc2c(O)cccc12.[Na+]~[OH-]>>CCCCCCCCCCOc1cccc2c(O)cccc12
|
CCCCCCCCCCI.CCO.Oc1cccc2c(O)cccc12.[Na+].[OH-]>>CCCCCCCCCCOc1cccc2c(O)cccc12
|
US05194389_grants
|
97d81bc3bdc7ce3b8ee93ae7a13495b44b7e8b6de75e3a601e8e55c2
|
CCO.I[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[Na+].[OH-].[OH:11][c:12]1[cH:13][cH:14][cH:15][c:16]2[c:17]([OH:18])[cH:19][cH:20][cH:21][c:22]12
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[cH:13][cH:14][cH:15][c:16]2[c:17]([OH:18])[cH:19][cH:20][cH:21][c:22]12
|
([C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-[c:4])>>(I-[CH2;D2;+0:1]-[C:2]).([OH;D1;+0:3]-[c:4])
|
56fe1955dd73a88d39d3c4c7e3804dc6559c131a5243e5175c54fb89
| 1 | 1 |
CCO.[Na+].[OH-]
| 198 |
69,721 | 289,518 | 490,876 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:11]=[C:12]2[C:16](=[O:17])[C:15]3[CH:18]=[CH:19][C:20]([OH:22])=[CH:21][C:14]=3[O:13]2)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.[C:23](Cl)(=[O:30])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C(OCC)(=O)C>N1C=CC=CC=1>[CH3:10][O:9][C:7]1[CH:6]=[C:5]([CH:11]=[C:12]2[C:16](=[O:17])[C:15]3[CH:18]=[CH:19][C:20]([O:22][C:23](=[O:30])[C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)=[CH:21][C:14]=3[O:13]2)[CH:4]=[C:3]([O:2][CH3:1])[CH:8]=1
| null |
US06143779_
| 2,000 |
CCOC(C)=O.Cl[C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:7]2[O:8][c:9]3[cH:10][c:11]([OH:12])[cH:21][cH:22][c:23]3[C:24]2=[O:25])[cH:26][c:27]([O:28][CH3:29])[cH:30]1.c1ccncc1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:7]2[O:8][c:9]3[cH:10][c:11]([O:12][C:13](=[O:14])[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[cH:21][cH:22][c:23]3[C:24]2=[O:25])[cH:26][c:27]([O:28][CH3:29])[cH:30]1
| 0.851488 |
CCOC(C)=O.COc1cc(C=C2Oc3cc(O)ccc3C2=O)cc(OC)c1.O=C(Cl)c1ccccc1.c1ccncc1>>COc1cc(C=C2Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc(OC)c1
|
CCOC(C)=O.COc1cc(C=C2Oc3cc(O)ccc3C2=O)cc(OC)c1.O=C(Cl)c1ccccc1.c1ccncc1>>COc1cc(C=C2Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)cc(OC)c1
|
US06143779_grants
|
d6cd611dc2ffc20895704366761ddbcd8e9263787efecf440a6ed602
|
CCOC(C)=O.Cl[C:13](=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:7]2[O:8][c:9]3[cH:10][c:11]([OH:12])[cH:21][cH:22][c:23]3[C:24]2=[O:25])[cH:26][c:27]([O:28][CH3:29])[cH:30]1.c1ccncc1
|
[CH3:1][O:2][c:3]1[cH:4][c:5]([CH:6]=[C:7]2[O:8][c:9]3[cH:10][c:11]([O:12][C:13](=[O:14])[c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[cH:21][cH:22][c:23]3[C:24]2=[O:25])[cH:26][c:27]([O:28][CH3:29])[cH:30]1
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([OH;D1;+0:4]-[c:5])
|
8e50eaa0c99d037d9e3d31e1cc133b4423ce4cd533c99cbb74deb209
| 1 | 1 |
CCOC(C)=O.c1ccncc1
| 482 |
205,645 | 698,085 | 1,149,752 |
[Cl:1][C:2]1[CH:10]=[C:6]([C:7]([OH:9])=O)[C:5]([OH:11])=[CH:4][CH:3]=1.[F:12][C:13]1[CH:14]=[C:15]([CH:17]=[C:18]([C:20]([F:23])([F:22])[F:21])[CH:19]=1)[NH2:16]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:16][C:15]1[CH:17]=[C:18]([C:20]([F:21])([F:22])[F:23])[CH:19]=[C:13]([F:12])[CH:14]=1)=[O:9]
| null |
US08097759B2_0799
| 2,012 |
O[C:2](=[O:1])[c:15]1[cH:16][c:17]([Cl:18])[cH:19][cH:20][c:21]1[OH:22].[NH2:3][c:4]1[cH:5][c:6]([F:7])[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14]1>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][c:6]([F:7])[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14]1)[c:15]1[cH:16][c:17]([Cl:18])[cH:19][cH:20][c:21]1[OH:22]
| 0.281063 |
Nc1cc(F)cc(C(F)(F)F)c1.O=C(O)c1cc(Cl)ccc1O>>O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
|
Nc1cc(F)cc(C(F)(F)F)c1.O=C(O)c1cc(Cl)ccc1O>>O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1O
|
US08097759B2_0799grants
|
f4bad71a9b7d9fa9377ca78111f983ee650cd83dc4141e4c60183aff
|
O[C:2](=[O:1])[c:15]1[cH:16][c:17]([Cl:18])[cH:19][cH:20][c:21]1[OH:22].[NH2:3][c:4]1[cH:5][c:6]([F:7])[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14]1
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][c:6]([F:7])[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14]1)[c:15]1[cH:16][c:17]([Cl:18])[cH:19][cH:20][c:21]1[OH:22]
|
([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 |
104,389 | 398,837 | 681,683 |
C([N:8]1[CH2:15][CH:14]2[C:16]([OH:18])([CH3:17])[CH:10]([CH2:11][N:12]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH2:13]2)[CH2:9]1)C1C=CC=CC=1>C(O)C.[Pd]>[OH:18][C:16]1([CH3:17])[CH:14]2[CH2:15][NH:8][CH2:9][CH:10]1[CH2:11][N:12]([C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])[CH2:13]2
| null |
US06887881B1_0175
| 2,005 |
CCO.[Pd].c1ccc(C[N:12]2[CH2:11][CH:10]3[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:15][CH:14]([CH2:13]2)[C:16]3([CH3:17])[OH:18])cc1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][NH:12][CH2:13][CH:14]([CH2:15]1)[C:16]2([CH3:17])[OH:18]
| 0.405658 |
CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)CC(C1)C2(C)O.CCO.[Pd]>>CC(C)(C)OC(=O)N1CC2CNCC(C1)C2(C)O
|
CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)CC(C1)C2(C)O.CCO.[Pd]>>CC(C)(C)OC(=O)N1CC2CNCC(C1)C2(C)O
|
US06887881B1_0175grants
|
643e8bc08bcbf8a34349bde43c2c1a5b3afbfd57589cb2c4352036ba
|
CCO.[Pd].c1ccc(C[N:12]2[CH2:11][CH:10]3[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:15][CH:14]([CH2:13]2)[C:16]3([CH3:17])[OH:18])cc1
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH2:11][NH:12][CH2:13][CH:14]([CH2:15]1)[C:16]2([CH3:17])[OH:18]
|
([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 |
CCO.[Pd]
| 84 |
365,937 | 692,346 | null |
Br[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=[O:15])[CH2:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[CH:5][CH:4]=1.CC(C)(C)CC(C1C=CC(C)=CC=1)=O>>[CH3:12][C:11]([CH3:14])([CH3:13])[CH2:10][CH:9]([C:6]1[CH:5]=[CH:4][C:3]([CH3:2])=[CH:8][CH:7]=1)[OH:15]
| null |
US20090099155A1_1098
| 2,009 |
CC(C)(C)CC(=O)c1ccc(CBr)cc1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH2:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([OH:7])[CH2:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1
| 0.213593 |
CC(C)(C)CC(=O)c1ccc(CBr)cc1.Cc1ccc(C(=O)CC(C)(C)C)cc1>>Cc1ccc(C(O)CC(C)(C)C)cc1
|
CC(C)(C)CC(=O)c1ccc(CBr)cc1.Cc1ccc(C(=O)CC(C)(C)C)cc1>>Cc1ccc(C(O)CC(C)(C)C)cc1
|
US20090099155A1_1098apps
|
284a87f1f262c50a37a49335c512384170d80f1798d9de0f4b301c93
|
CC(C)(C)CC(=O)c1ccc(CBr)cc1.[CH3:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[CH2:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH:6]([OH:7])[CH2:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1
|
([C:1]-[CH;D3;+0:2](-[OH;D1;+0:3])-[c:4])>>([C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4])
|
e79b9f0e956cb38254670cbba4f53d0c22148efe9b15465e130440fe
| 1 | 1 |
CC(C)(C)CC(=O)c1ccc(CBr)cc1
| 24 |
237,538 | 792,961 | 1,313,011 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][C:15]([OH:17])=O)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(Cl)(=O)C([Cl:21])=O.CN(C=O)C>C(Cl)Cl>[Cl:21][C:15](=[O:17])[CH2:14][CH:11]1[CH2:12][CH2:13][N:8]([C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:9][CH2:10]1
| null |
US08426411B2_1675
| 2,013 |
CN(C)C=O.ClCCl.O=C(Cl)C(=O)[Cl:15].O[C:13]([CH2:12][CH:11]1[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:17][CH2:16]1)=[O:14]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:12][C:13](=[O:14])[Cl:15])[CH2:16][CH2:17]1
| 0.231272 |
CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl>>CC(C)(C)OC(=O)N1CCC(CC(=O)Cl)CC1
|
CC(C)(C)OC(=O)N1CCC(CC(=O)O)CC1.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl>>CC(C)(C)OC(=O)N1CCC(CC(=O)Cl)CC1
|
US08426411B2_1675grants
|
ad9dadf9deb2bdc19d0e524c0e25c5ebbb26f6b0be0737357559c7cc
|
CN(C)C=O.ClCCl.O=C(Cl)C(=O)[Cl:15].O[C:13]([CH2:12][CH:11]1[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:17][CH2:16]1)=[O:14]
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:12][C:13](=[O:14])[Cl:15])[CH2:16][CH2:17]1
|
([C:3]-[C;H0;D3;+0:2](-[Cl;H0;D1;+0:1])=[O;D1;H0:4])>>(Cl-C(=O)-C(=O)-[Cl;H0;D1;+0:1]).(O-[C;H0;D3;+0:2](-[C:3])=[O;D1;H0:4])
|
78435edea32d2d38b5145914f27e36d7d5f382c893aab0d3c0c387d1
| 1 | 1 |
CN(C)C=O.ClCCl
| 56 |
57,276 | 244,843 | 412,649 |
[H-].[Na+].[CH2:3]([O:10][C:11]1[CH:34]=[CH:33][C:14]([O:15][C@@H:16]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[CH2:18][C@@H:17]2[NH:25][C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])=[CH:13][CH:12]=1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.IC.[CH2:37](OCC)C>CN(C)C=O>[CH2:3]([O:10][C:11]1[CH:34]=[CH:33][C:14]([O:15][C@@H:16]2[C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[CH2:18][C@@H:17]2[N:25]([CH3:37])[C:26]([O:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:27])=[CH:13][CH:12]=1)[C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=1
|
|f:0.1|
|
US05773463_
| 1,998 |
CCOCC.CN(C)C=O.I[CH3:1].[H-].[NH:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C@H:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C@H:18]1[O:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1.[Na+]>>[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C@H:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C@H:18]1[O:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1
| 0.315098 |
CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Oc1ccc(OCc2ccccc2)cc1.CCOCC.CI.CN(C)C=O.[H-]~[Na+]>>CN(C(=O)OC(C)(C)C)[C@H]1Cc2ccccc2[C@H]1Oc1ccc(OCc2ccccc2)cc1
|
CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2[C@H]1Oc1ccc(OCc2ccccc2)cc1.CCOCC.CI.CN(C)C=O.[H-].[Na+]>>CN(C(=O)OC(C)(C)C)[C@H]1Cc2ccccc2[C@H]1Oc1ccc(OCc2ccccc2)cc1
|
US05773463_grants
|
72a6e27a1d60571e40b70049ef46b5ca9be33151358ee2bef2e2fe79
|
CCOCC.CN(C)C=O.I[CH3:1].[H-].[NH:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C@H:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C@H:18]1[O:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1.[Na+]
|
[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C@H:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C@H:18]1[O:19][c:20]1[cH:21][cH:22][c:23]([O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1
|
([C:2]-[N;H0;D3;+0:3](-[CH3;D1;+0:1])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7](-[C;D1;H3:8])(-[C;D1;H3:9])-[C;D1;H3:10])>>(I-[CH3;D1;+0:1]).([C:2]-[NH;D2;+0:3]-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7](-[C;D1;H3:8])(-[C;D1;H3:9])-[C;D1;H3:10])
|
602e17afce10b895bb09c87badb2604c3948c65a9a67f2f7a1e9169a
| 1 | 1 |
CCOCC.CN(C)C=O.[H-].[Na+]
| 803 |
64,761 | 271,494 | 460,568 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][C:3]=1[C:16]#[N:17].[NH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[C:21]([NH2:25])[CH:20]=1.N1C=CC=CC=1.C(OC(O)C)C.C(=O)(O)[O-].[Na+]>>[NH2:18][C:19]1[CH:20]=[C:21]([NH:25][C:2]2[C:11]3[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=3)[N:5]=[CH:4][C:3]=2[C:16]#[N:17])[CH:22]=[CH:23][CH:24]=1
|
|f:4.5|
|
US06002008_
| 1,999 |
CCOC(C)O.Cl[c:11]1[c:8]([C:9]#[N:10])[cH:7][n:6][c:5]2[cH:4][c:3]([O:2][CH3:1])[c:22]([O:23][CH3:24])[cH:21][c:20]21.O=C([O-])O.[NH2:12][c:13]1[cH:14][cH:15][cH:16][c:17]([NH2:18])[cH:19]1.[Na+].c1ccncc1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][c:8]([C:9]#[N:10])[c:11]([NH:12][c:13]3[cH:14][cH:15][cH:16][c:17]([NH2:18])[cH:19]3)[c:20]2[cH:21][c:22]1[O:23][CH3:24]
| 0.930037 |
CCOC(C)O.COc1cc2ncc(C#N)c(Cl)c2cc1OC.Nc1cccc(N)c1.O=C([O-])O~[Na+].c1ccncc1>>COc1cc2ncc(C#N)c(Nc3cccc(N)c3)c2cc1OC
|
CCOC(C)O.COc1cc2ncc(C#N)c(Cl)c2cc1OC.Nc1cccc(N)c1.O=C([O-])O.[Na+].c1ccncc1>>COc1cc2ncc(C#N)c(Nc3cccc(N)c3)c2cc1OC
|
US06002008_grants
|
30d94584d8ca35e16ebb7b41d0359144d09b89b067deebf3fc6000ca
|
CCOC(C)O.Cl[c:11]1[c:8]([C:9]#[N:10])[cH:7][n:6][c:5]2[cH:4][c:3]([O:2][CH3:1])[c:22]([O:23][CH3:24])[cH:21][c:20]21.O=C([O-])O.[NH2:12][c:13]1[cH:14][cH:15][cH:16][c:17]([NH2:18])[cH:19]1.[Na+].c1ccncc1
|
[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][c:8]([C:9]#[N:10])[c:11]([NH:12][c:13]3[cH:14][cH:15][cH:16][c:17]([NH2:18])[cH:19]3)[c:20]2[cH:21][c:22]1[O:23][CH3:24]
|
([c:8]-[NH;D2;+0:7]-[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).([NH2;D1;+0:7]-[c:8])
|
9570cc8968956ee59317fddf13fef791d7dfc21debbdd4eb83898274
| 1 | 1 |
CCOC(C)O.O=C([O-])O.[Na+].c1ccncc1
| 115 |
80,922 | 326,614 | 554,432 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([NH:23][CH:24]2[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)=[C:8]([CH:22]=1)[C:9]([NH:11][CH2:12][C:13]1[CH:21]=[CH:20][C:16]2[O:17][CH2:18][O:19][C:15]=2[CH:14]=1)=[O:10])([O-:3])=[O:2].C=O.[C:32]([BH3-])#N.[Na+]>CO.C(O)(=O)C>[CH3:32][N:27]1[CH2:28][CH2:29][CH:24]([NH:23][C:7]2[CH:6]=[CH:5][C:4]([N+:1]([O-:3])=[O:2])=[CH:22][C:8]=2[C:9]([NH:11][CH2:12][C:13]2[CH:21]=[CH:20][C:16]3[O:17][CH2:18][O:19][C:15]=3[CH:14]=2)=[O:10])[CH2:25][CH2:26]1
|
|f:2.3|
|
US06384080B1_
| 2,002 |
CC(=O)O.CO.O=[CH2:1].[BH3-]C#N.[NH:2]1[CH2:3][CH2:4][CH:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([N+:11](=[O:12])[O-:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][CH2:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:25]2)[O:26][CH2:27][O:28]3)[CH2:29][CH2:30]1.[Na+]>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([N+:11](=[O:12])[O-:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][CH2:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:25]2)[O:26][CH2:27][O:28]3)[CH2:29][CH2:30]1
| 0.871064 |
C=O.CC(=O)O.CO.O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1NC1CCNCC1.[BH3-]C#N~[Na+]>>CN1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3c(c2)OCO3)CC1
|
C=O.CC(=O)O.CO.O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1NC1CCNCC1.[BH3-]C#N.[Na+]>>CN1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc3c(c2)OCO3)CC1
|
US06384080B1_grants
|
db0ce5bb9ff52eb02ab00369416d1b21212061ed2185549c76911172
|
CC(=O)O.CO.O=[CH2:1].[BH3-]C#N.[NH:2]1[CH2:3][CH2:4][CH:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([N+:11](=[O:12])[O-:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][CH2:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:25]2)[O:26][CH2:27][O:28]3)[CH2:29][CH2:30]1.[Na+]
|
[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([NH:6][c:7]2[cH:8][cH:9][c:10]([N+:11](=[O:12])[O-:13])[cH:14][c:15]2[C:16](=[O:17])[NH:18][CH2:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:25]2)[O:26][CH2:27][O:28]3)[CH2:29][CH2:30]1
|
([C:2]-[N;H0;D3;+0:3](-[C:4])-[CH3;D1;+0:1])>>(O=[CH2;D1;+0:1]).([C:2]-[NH;D2;+0:3]-[C:4])
|
fb44fedb5e2cc8d07bdd0b6fb6f327584934b65e8fb8e97e63bb7532
| 1 | 1 |
CC(=O)O.CO.[BH3-]C#N.[Na+]
| 217 |
422,441 | 1,778,146 | null |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:9])=[O:8].Cl[C:11]([O:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:12]>[OH-].[Na+].O1CCOCC1>[CH2:14]([O:13][C:11]([NH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([OH:9])=[O:8])=[O:12])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1
|
|f:2.3|
|
US20150307916A1_0448
| 2,015 |
C1COCCO1.Cl[C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Na+].[O:1]=[C:2]([OH:3])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH2:9].[OH-]>>[O:1]=[C:2]([OH:3])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
| 0.888592 |
C1COCCO1.NCCCCCC(=O)O.O=C(Cl)OCc1ccccc1.[Na+]~[OH-]>>O=C(O)CCCCCNC(=O)OCc1ccccc1
|
C1COCCO1.NCCCCCC(=O)O.O=C(Cl)OCc1ccccc1.[Na+].[OH-]>>O=C(O)CCCCCNC(=O)OCc1ccccc1
|
US20150307916A1_0448apps
|
dd56bccb816ae2ebcf3a15d599924c2b76dd354c424da355c6afdbef
|
C1COCCO1.Cl[C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[Na+].[O:1]=[C:2]([OH:3])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH2:9].[OH-]
|
[O:1]=[C:2]([OH:3])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
|
([C:11]-[NH;D2;+0:12]-[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)>>(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).([C:11]-[NH2;D1;+0:12])
|
0700d9a1d582b4bef1511f9fb181aa1e8ef062a6c336f391def96a74
| 1 | 1 |
C1COCCO1.[Na+].[OH-]
| 479 |
251,894 | 835,156 | 1,385,036 |
O1[C:5]2([CH2:10][CH2:9][CH:8]([O:11][C:12]3[CH:17]=[CH:16][C:15]([C:18]4[C:23]5=[N:24][S:25](=[O:29])(=[O:28])[CH2:26][CH2:27][N:22]5[CH:21]=[CH:20][CH:19]=4)=[CH:14][CH:13]=3)[CH2:7][CH2:6]2)[O:4]CC1.Cl.[OH-].[Na+]>C1COCC1>[O:29]=[S:25]1(=[O:28])[CH2:26][CH2:27][N:22]2[CH:21]=[CH:20][CH:19]=[C:18]([C:15]3[CH:14]=[CH:13][C:12]([O:11][CH:8]4[CH2:9][CH2:10][C:5](=[O:4])[CH2:6][CH2:7]4)=[CH:17][CH:16]=3)[C:23]2=[N:24]1
|
|f:2.3|
|
US08575154B2_2196
| 2,013 |
C1CCOC1.C1C[O:1][C:2]2(O1)[CH2:3][CH2:4][CH:5]([O:6][c:7]1[cH:8][cH:9][c:10]([C:11]3=[CH:12][CH:13]=[CH:14][N:15]4[CH2:16][CH2:17][S:18](=[O:19])(=[O:20])[N:21]=[C:22]34)[cH:23][cH:24]1)[CH2:25][CH2:26]2.Cl.[Na+].[OH-]>>[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([O:6][c:7]2[cH:8][cH:9][c:10]([C:11]3=[CH:12][CH:13]=[CH:14][N:15]4[CH2:16][CH2:17][S:18](=[O:19])(=[O:20])[N:21]=[C:22]34)[cH:23][cH:24]2)[CH2:25][CH2:26]1
| 0.353052 |
C1CCOC1.Cl.O=S1(=O)CCN2C=CC=C(c3ccc(OC4CCC5(CC4)OCCO5)cc3)C2=N1.[Na+]~[OH-]>>O=C1CCC(Oc2ccc(C3=CC=CN4CCS(=O)(=O)N=C34)cc2)CC1
|
C1CCOC1.Cl.O=S1(=O)CCN2C=CC=C(c3ccc(OC4CCC5(CC4)OCCO5)cc3)C2=N1.[Na+].[OH-]>>O=C1CCC(Oc2ccc(C3=CC=CN4CCS(=O)(=O)N=C34)cc2)CC1
|
US08575154B2_2196grants
|
2911b1b5415ca9cde3e7bb53bd3fe475b356ec11349c7acf5292f40a
|
C1CCOC1.C1C[O:1][C:2]2(O1)[CH2:3][CH2:4][CH:5]([O:6][c:7]1[cH:8][cH:9][c:10]([C:11]3=[CH:12][CH:13]=[CH:14][N:15]4[CH2:16][CH2:17][S:18](=[O:19])(=[O:20])[N:21]=[C:22]34)[cH:23][cH:24]1)[CH2:25][CH2:26]2.Cl.[Na+].[OH-]
|
[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([O:6][c:7]2[cH:8][cH:9][c:10]([C:11]3=[CH:12][CH:13]=[CH:14][N:15]4[CH2:16][CH2:17][S:18](=[O:19])(=[O:20])[N:21]=[C:22]34)[cH:23][cH:24]2)[CH2:25][CH2:26]1
|
([C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4])>>([C:1]-[C;H0;D4;+0:2]1(-[C:3])-O-C-C-[O;H0;D2;+0:4]-1)
|
e7506b5dcebc1e1132cd14011cf5d80a1a3bec302d3ec77f83c62062
| 1 | 1 |
C1CCOC1.Cl.[Na+].[OH-]
| 251 |
79,132 | 320,293 | 543,018 |
[CH2:1]([N:3]1[CH2:8][CH2:7][CH:6]([CH:9]2[CH2:14][CH2:13][N:12](C(OCC3C=CC=CC=3)=O)[CH2:11][CH2:10]2)[CH2:5][CH2:4]1)[CH3:2].O.C(O)(=O)C.[H][H]>CO.[Pd]>[CH2:1]([N:3]1[CH2:4][CH2:5][CH:6]([CH:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)[CH2:7][CH2:8]1)[CH3:2]
| null |
US06344449B1_
| 2,002 |
CC(=O)O.CO.O.O=C(OCc1ccccc1)[N:10]1[CH2:9][CH2:8][CH:7]([CH:6]2[CH2:5][CH2:4][N:3]([CH2:2][CH3:1])[CH2:14][CH2:13]2)[CH2:12][CH2:11]1.[H][H].[Pd]>>[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH:6]([CH:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[CH2:13][CH2:14]1
| 0.898653 |
CC(=O)O.CCN1CCC(C2CCN(C(=O)OCc3ccccc3)CC2)CC1.CO.O.[H][H].[Pd]>>CCN1CCC(C2CCNCC2)CC1
|
CC(=O)O.CCN1CCC(C2CCN(C(=O)OCc3ccccc3)CC2)CC1.CO.O.[H][H].[Pd]>>CCN1CCC(C2CCNCC2)CC1
|
US06344449B1_grants
|
9f22d869a793e39ea48f5be9958943fadec2020fe94dc006be0868a3
|
CC(=O)O.CO.O.O=C(OCc1ccccc1)[N:10]1[CH2:9][CH2:8][CH:7]([CH:6]2[CH2:5][CH2:4][N:3]([CH2:2][CH3:1])[CH2:14][CH2:13]2)[CH2:12][CH2:11]1.[H][H].[Pd]
|
[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][CH:6]([CH:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[CH2:13][CH2:14]1
|
([C:2]-[NH;D2;+0:1]-[C:3])>>(O=C(-O-C-c1:c:c:c:c:c:1)-[N;H0;D3;+0:1](-[C:2])-[C:3])
|
5a4b471314a9d16582c772175d4da637e8cc4c358126acefcc826e38
| 1 | 1 |
CC(=O)O.CO.O.[H][H].[Pd]
| 428 |
168,654 | 592,217 | 982,523 |
[O:1]=[C:2]1[CH2:8][CH2:7][C:6](=[O:9])[C:5]2[CH:10]=[CH:11][CH:12]=[CH:13][C:4]=2[N:3]1[CH2:14][CH2:15][CH2:16][CH2:17][N:18]1[CH2:23][CH2:22][N:21](C(OC(C)(C)C)=O)[CH2:20][CH2:19]1.Cl>C(OCC)C>[N:18]1([CH2:17][CH2:16][CH2:15][CH2:14][N:3]2[C:4]3[CH:13]=[CH:12][CH:11]=[CH:10][C:5]=3[C:6](=[O:9])[CH2:7][CH2:8][C:2]2=[O:1])[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]1
| null |
US07723384B2_0337
| 2,010 |
CC(C)(C)OC(=O)[N:15]1[CH2:14][CH2:13][N:12]([CH2:11][CH2:10][CH2:9][CH2:8][N:7]2[C:5](=[O:6])[CH2:4][CH2:3][C:2](=[O:1])[c:23]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:17][CH2:16]1.CCOCC.Cl>>[O:1]=[C:2]1[CH2:3][CH2:4][C:5](=[O:6])[N:7]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21
| 0.847163 |
CC(C)(C)OC(=O)N1CCN(CCCCN2C(=O)CCC(=O)c3ccccc32)CC1.CCOCC.Cl>>O=C1CCC(=O)N(CCCCN2CCNCC2)c2ccccc21
|
CC(C)(C)OC(=O)N1CCN(CCCCN2C(=O)CCC(=O)c3ccccc32)CC1.CCOCC.Cl>>O=C1CCC(=O)N(CCCCN2CCNCC2)c2ccccc21
|
US07723384B2_0337grants
|
d143b80021eb13313ec607bd72211b43f158cab55c8004b3e9420cf7
|
CC(C)(C)OC(=O)[N:15]1[CH2:14][CH2:13][N:12]([CH2:11][CH2:10][CH2:9][CH2:8][N:7]2[C:5](=[O:6])[CH2:4][CH2:3][C:2](=[O:1])[c:23]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:17][CH2:16]1.CCOCC.Cl
|
[O:1]=[C:2]1[CH2:3][CH2:4][C:5](=[O:6])[N:7]([CH2:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]21
|
([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 |
CCOCC.Cl
| 575 |
209,072 | 707,583 | 1,165,866 |
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][NH:8][C:9]2=O)=[CH:4][C:3]=1[O:13][CH3:14].P(Cl)(Cl)([Cl:17])=O>>[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][N:8]=[C:9]2[Cl:17])=[CH:4][C:3]=1[O:13][CH3:14]
| null |
US08138164B2_0173
| 2,012 |
O=P(Cl)(Cl)[Cl:10].O=[c:9]1[nH:8][cH:7][cH:6][c:5]2[cH:4][c:3]([O:2][CH3:1])[c:13]([Br:14])[cH:12][c:11]21>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][n:8][c:9]([Cl:10])[c:11]2[cH:12][c:13]1[Br:14]
| 0.368728 |
COc1cc2cc[nH]c(=O)c2cc1Br.O=P(Cl)(Cl)Cl>>COc1cc2ccnc(Cl)c2cc1Br
|
COc1cc2cc[nH]c(=O)c2cc1Br.O=P(Cl)(Cl)Cl>>COc1cc2ccnc(Cl)c2cc1Br
|
US08138164B2_0173grants
|
4807f7275fde93cd2724f54889507434f489c950f03eca20ac0d72b4
|
O=P(Cl)(Cl)[Cl:10].O=[c:9]1[nH:8][cH:7][cH:6][c:5]2[cH:4][c:3]([O:2][CH3:1])[c:13]([Br:14])[cH:12][c:11]21
|
[CH3:1][O:2][c:3]1[cH:4][c:5]2[cH:6][cH:7][n:8][c:9]([Cl:10])[c:11]2[cH:12][c:13]1[Br:14]
|
([Cl;H0;D1;+0:1]-[c;H0;D3;+0:2](:[c:3]):[n;H0;D2;+0:4]:[c:5])>>(Cl-P(-Cl)(=O)-[Cl;H0;D1;+0:1]).(O=[c;H0;D3;+0:2](:[c:3]):[nH;D2;+0:4]:[c:5])
|
d6b570cc05295aef008364eb0a8782c73b95e93965a12d0fd2429108
| 1 | 1 | null | 100 |
239,673 | 799,065 | 1,322,222 |
[CH2:1]([O:3][C:4]1[CH:12]=[CH:11][C:7]2[O:8][CH2:9][O:10][C:6]=2[C:5]=1[C:13]1[C:14]2[NH:21][CH:20]=[C:19]([C:22](O)=[O:23])[C:15]=2[N:16]=[CH:17][N:18]=1)[CH3:2].[C:25]([O:29][C:30]([N:32]1[CH2:37][CH2:36][CH:35]([NH2:38])[CH2:34][CH2:33]1)=[O:31])([CH3:28])([CH3:27])[CH3:26]>>[C:25]([O:29][C:30]([N:32]1[CH2:37][CH2:36][CH:35]([NH:38][C:22]([C:19]2[C:15]3[N:16]=[CH:17][N:18]=[C:13]([C:5]4[C:6]5[O:10][CH2:9][O:8][C:7]=5[CH:11]=[CH:12][C:4]=4[O:3][CH2:1][CH3:2])[C:14]=3[NH:21][CH:20]=2)=[O:23])[CH2:34][CH2:33]1)=[O:31])([CH3:28])([CH3:26])[CH3:27]
| null |
US08445501B2_4274
| 2,013 |
O[C:16]([c:15]1[c:14]2[n:13][cH:12][n:11][c:10](-[c:9]3[c:4]([O:3][CH2:2][CH3:1])[cH:5][cH:6][c:7]4[c:8]3[O:35][CH2:36][O:37]4)[c:34]2[nH:33][cH:32]1)=[O:17].[NH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH2:31]1>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9]1-[c:10]1[n:11][cH:12][n:13][c:14]3[c:15]([C:16](=[O:17])[NH:18][CH:19]4[CH2:20][CH2:21][N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH2:31]4)[cH:32][nH:33][c:34]13)[O:35][CH2:36][O:37]2
| 0.365794 |
CC(C)(C)OC(=O)N1CCC(N)CC1.CCOc1ccc2c(c1-c1ncnc3c(C(=O)O)c[nH]c13)OCO2>>CCOc1ccc2c(c1-c1ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c[nH]c13)OCO2
|
CC(C)(C)OC(=O)N1CCC(N)CC1.CCOc1ccc2c(c1-c1ncnc3c(C(=O)O)c[nH]c13)OCO2>>CCOc1ccc2c(c1-c1ncnc3c(C(=O)NC4CCN(C(=O)OC(C)(C)C)CC4)c[nH]c13)OCO2
|
US08445501B2_4274grants
|
d167d008802a0b31a646b8839a23553000f80712752b11da7b3fa9a7
|
O[C:16]([c:15]1[c:14]2[n:13][cH:12][n:11][c:10](-[c:9]3[c:4]([O:3][CH2:2][CH3:1])[cH:5][cH:6][c:7]4[c:8]3[O:35][CH2:36][O:37]4)[c:34]2[nH:33][cH:32]1)=[O:17].[NH2:18][CH:19]1[CH2:20][CH2:21][N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH2:31]1
|
[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9]1-[c:10]1[n:11][cH:12][n:13][c:14]3[c:15]([C:16](=[O:17])[NH:18][CH:19]4[CH2:20][CH2:21][N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][CH2:31]4)[cH:32][nH:33][c:34]13)[O:35][CH2:36][O:37]2
|
([#7;a:5]:[c:4]:[c:3](:[c:6]:[#7;a:7])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:9]-[C:8])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3](:[c:4]:[#7;a:5]):[c:6]:[#7;a:7]).([C:8]-[NH2;D1;+0:9])
|
577a3840746a2ffc3bfb987e15784f8e92c2046a88743afbadcc1d3d
| 1 | 1 | null | 737 |
188,513 | 650,224 | 1,074,834 |
[OH-].[Na+].C[O:4][C:5](=[O:42])[CH2:6][C:7]1[CH:8]=[C:9]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([CH2:39][CH3:40])([C:24]3[CH:29]=[CH:28][C:27](/[CH:30]=[CH:31]/[C:32]([CH2:36][CH3:37])([OH:35])[CH2:33][CH3:34])=[C:26]([CH3:38])[CH:25]=3)[CH2:22][CH3:23])=[CH:17][C:16]=2[CH3:41])[C:10]([O:13][CH3:14])=[CH:11][CH:12]=1.[Cl-].[NH4+]>CO.O1CCCC1>[CH2:22]([C:21]([C:18]1[CH:19]=[CH:20][C:15]([C:9]2[C:10]([O:13][CH3:14])=[CH:11][CH:12]=[C:7]([CH2:6][C:5]([OH:42])=[O:4])[CH:8]=2)=[C:16]([CH3:41])[CH:17]=1)([C:24]1[CH:29]=[CH:28][C:27](/[CH:30]=[CH:31]/[C:32]([CH2:33][CH3:34])([OH:35])[CH2:36][CH3:37])=[C:26]([CH3:38])[CH:25]=1)[CH2:39][CH3:40])[CH3:23]
|
|f:0.1,3.4,5.6|
|
US07935688B2_1932
| 2,011 |
C1CCOC1.CO.C[O:26][C:24]([CH2:23][c:22]1[cH:21][c:20](-[c:19]2[cH:18][cH:17][c:16]([C:11]([c:10]3[cH:9][cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([CH2:2][CH3:1])([OH:4])[CH2:38][CH3:39])[c:36]([CH3:37])[cH:35]3)([CH2:12][CH3:13])[CH2:14][CH3:15])[cH:34][c:32]2[CH3:33])[c:29]([O:30][CH3:31])[cH:28][cH:27]1)=[O:25].[Cl-].[NH4+].[Na+].[OH-]>>[CH3:1][CH2:2][C:3]([OH:4])(/[CH:5]=[CH:6]/[c:7]1[cH:8][cH:9][c:10]([C:11]([CH2:12][CH3:13])([CH2:14][CH3:15])[c:16]2[cH:17][cH:18][c:19](-[c:20]3[cH:21][c:22]([CH2:23][C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]3[O:30][CH3:31])[c:32]([CH3:33])[cH:34]2)[cH:35][c:36]1[CH3:37])[CH2:38][CH3:39]
| 0.63875 |
C1CCOC1~CO.CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)ccc3OC)c(C)c2)cc1C)CC.[Cl-]~[NH4+].[Na+]~[OH-]>>CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)O)ccc3OC)c(C)c2)cc1C)CC
|
C1CCOC1.CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)ccc3OC)c(C)c2)cc1C)CC.CO.[Cl-].[NH4+].[Na+].[OH-]>>CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)O)ccc3OC)c(C)c2)cc1C)CC
|
US07935688B2_1932grants
|
f8b61fcca4c63b582031546a3a64ab9ca2a3dde090a4ab3b5e6dd28e
|
C1CCOC1.CO.C[O:26][C:24]([CH2:23][c:22]1[cH:21][c:20](-[c:19]2[cH:18][cH:17][c:16]([C:11]([c:10]3[cH:9][cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([CH2:2][CH3:1])([OH:4])[CH2:38][CH3:39])[c:36]([CH3:37])[cH:35]3)([CH2:12][CH3:13])[CH2:14][CH3:15])[cH:34][c:32]2[CH3:33])[c:29]([O:30][CH3:31])[cH:28][cH:27]1)=[O:25].[Cl-].[NH4+].[Na+].[OH-]
|
[CH3:1][CH2:2][C:3]([OH:4])(/[CH:5]=[CH:6]/[c:7]1[cH:8][cH:9][c:10]([C:11]([CH2:12][CH3:13])([CH2:14][CH3:15])[c:16]2[cH:17][cH:18][c:19](-[c:20]3[cH:21][c:22]([CH2:23][C:24](=[O:25])[OH:26])[cH:27][cH:28][c:29]3[O:30][CH3:31])[c:32]([CH3:33])[cH:34]2)[cH:35][c:36]1[CH3:37])[CH2:38][CH3:39]
|
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
|
0a02d2d47df007d05d29f7b852c5bfe9dcbd7a32224d027cc636bd27
| 1 | 1 |
C1CCOC1.CO.[Cl-].[NH4+].[Na+].[OH-]
| 88 |
397,756 | 1,315,336 | null |
Cl[C:2]1[C:11]2=[N:12][N:13](CC3C=CC(OC)=CC=3)[CH:14]=[C:10]2[C:9]2[CH:8]=[C:7]([O:24][CH3:25])[CH:6]=[CH:5][C:4]=2[N:3]=1.[CH:26]1([N:31]2[CH2:36][CH2:35][N:34]([C:37]3[CH:43]=[CH:42][C:40]([NH2:41])=[CH:39][CH:38]=3)[CH2:33][CH2:32]2)[CH2:30][CH2:29][CH2:28][CH2:27]1.Cl>CO.O1CCOCC1>[CH:26]1([N:31]2[CH2:36][CH2:35][N:34]([C:37]3[CH:38]=[CH:39][C:40]([NH:41][C:2]4[C:11]5=[N:12][NH:13][CH:14]=[C:10]5[C:9]5[CH:8]=[C:7]([O:24][CH3:25])[CH:6]=[CH:5][C:4]=5[N:3]=4)=[CH:42][CH:43]=3)[CH2:33][CH2:32]2)[CH2:30][CH2:29][CH2:28][CH2:27]1
| null |
US20120329785A1_1386
| 2,012 |
C1COCCO1.CO.COc1ccc(C[n:29]2[n:28][c:27]3[c:8](Cl)[n:7][c:6]4[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:33][c:32]4[c:31]3[cH:30]2)cc1.Cl.[NH2:9][c:10]1[cH:11][cH:12][c:13]([N:14]2[CH2:15][CH2:16][N:17]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[CH2:23][CH2:24]2)[cH:25][cH:26]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([NH:9][c:10]3[cH:11][cH:12][c:13]([N:14]4[CH2:15][CH2:16][N:17]([CH:18]5[CH2:19][CH2:20][CH2:21][CH2:22]5)[CH2:23][CH2:24]4)[cH:25][cH:26]3)[c:27]3[n:28][nH:29][cH:30][c:31]3[c:32]2[cH:33]1
| 0.90285 |
C1COCCO1.CO.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(OC)cc23)cc1.Cl.Nc1ccc(N2CCN(C3CCCC3)CC2)cc1>>COc1ccc2nc(Nc3ccc(N4CCN(C5CCCC5)CC4)cc3)c3n[nH]cc3c2c1
|
C1COCCO1.CO.COc1ccc(Cn2cc3c(n2)c(Cl)nc2ccc(OC)cc23)cc1.Cl.Nc1ccc(N2CCN(C3CCCC3)CC2)cc1>>COc1ccc2nc(Nc3ccc(N4CCN(C5CCCC5)CC4)cc3)c3n[nH]cc3c2c1
|
US20120329785A1_1386apps
|
a2bc4b5a1e6cd2d14725544ee97b37bc7c654f99b3b3692c6e679d19
|
C1COCCO1.CO.COc1ccc(C[n:29]2[n:28][c:27]3[c:8](Cl)[n:7][c:6]4[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:33][c:32]4[c:31]3[cH:30]2)cc1.Cl.[NH2:9][c:10]1[cH:11][cH:12][c:13]([N:14]2[CH2:15][CH2:16][N:17]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[CH2:23][CH2:24]2)[cH:25][cH:26]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][c:8]([NH:9][c:10]3[cH:11][cH:12][c:13]([N:14]4[CH2:15][CH2:16][N:17]([CH:18]5[CH2:19][CH2:20][CH2:21][CH2:22]5)[CH2:23][CH2:24]4)[cH:25][cH:26]3)[c:27]3[n:28][nH:29][cH:30][c:31]3[c:32]2[cH:33]1
|
([#7;a:6]:[c;H0;D3;+0:5](-[NH;D2;+0:7]-[c:8]):[c:4]:[#7;a:3]:[nH;D2;+0:1]:[c:2])>>(C-O-c1:c:c:c(-C-[n;H0;D3;+0:1](:[c:2]):[#7;a:3]:[c:4]:[c;H0;D3;+0:5](-Cl):[#7;a:6]):c:c:1).([NH2;D1;+0:7]-[c:8])
|
bc52b53c03960af581975000af196bd453f1b9184139271be18b69e9
| 1 | 1 |
C1COCCO1.CO.Cl
| 998 |
233,101 | 779,217 | 1,286,460 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:10]=1)[C:5]([OH:7])=O.CCN(C(C)C)C(C)C.Cl.Cl.[NH2:26][CH2:27][CH:28]1[CH2:33][CH2:32][N:31]([CH2:34][CH2:35][NH:36][S:37]([C:40]([F:43])([F:42])[F:41])(=[O:39])=[O:38])[CH2:30][CH2:29]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(Cl)Cl>[Br:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:10]=1)[C:5]([NH:26][CH2:27][CH:28]1[CH2:33][CH2:32][N:31]([CH2:34][CH2:35][NH:36][S:37]([C:40]([F:43])([F:42])[F:41])(=[O:39])=[O:38])[CH2:30][CH2:29]1)=[O:7]
|
|f:2.3.4,5.6|
|
US08377968B2_0120
| 2,013 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.Cl.Cl.ClCCl.F[P-](F)(F)(F)(F)F.O[C:2](=[O:1])[c:21]1[cH:22][c:23]([Br:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]1.[NH2:3][CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][NH:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[CH2:19][CH2:20]1>>[O:1]=[C:2]([NH:3][CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][NH:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[CH2:19][CH2:20]1)[c:21]1[cH:22][c:23]([Br:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]1
| 0.048161 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.ClCCl.Cl~Cl~NCC1CCN(CCNS(=O)(=O)C(F)(F)F)CC1.O=C(O)c1cc(Br)cc(C(F)(F)F)c1>>O=C(NCC1CCN(CCNS(=O)(=O)C(F)(F)F)CC1)c1cc(Br)cc(C(F)(F)F)c1
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.Cl.Cl.ClCCl.F[P-](F)(F)(F)(F)F.NCC1CCN(CCNS(=O)(=O)C(F)(F)F)CC1.O=C(O)c1cc(Br)cc(C(F)(F)F)c1>>O=C(NCC1CCN(CCNS(=O)(=O)C(F)(F)F)CC1)c1cc(Br)cc(C(F)(F)F)c1
|
US08377968B2_0120grants
|
c266c5031b343f6ea25619abbc200394c0c3686cfde5eeb9ab61da64
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.Cl.Cl.ClCCl.F[P-](F)(F)(F)(F)F.O[C:2](=[O:1])[c:21]1[cH:22][c:23]([Br:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]1.[NH2:3][CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][NH:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[CH2:19][CH2:20]1
|
[O:1]=[C:2]([NH:3][CH2:4][CH:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][NH:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[CH2:19][CH2:20]1)[c:21]1[cH:22][c:23]([Br:24])[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]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.Cl.Cl.ClCCl.F[P-](F)(F)(F)(F)F
| 334 |
121,389 | 449,868 | 764,153 |
Cl.[N+:2]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][CH:9]=[C:8]2[CH2:14][CH2:15][NH:16][CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([O:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH:19]=1)([O-])=O.[BH4-].[Na+]>CO>[NH2:2][C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][CH:9]=[C:8]2[CH2:14][CH2:15][NH:16][CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([O:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH:19]=1
|
|f:0.1,2.3|
|
US07157488B2_0548
| 2,007 |
CO.Cl.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][c:5]2[nH:6][cH:7][c:8]([CH2:9][CH2:10][NH:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:25]3)[c:26]2[cH:27]1.[BH4-].[Na+]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]2[nH:6][cH:7][c:8]([CH2:9][CH2:10][NH:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:25]3)[c:26]2[cH:27]1
| 0.897213 |
CO.Cl~O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cccc(Oc4ccccc4)c3)c2c1.[BH4-]~[Na+]>>Nc1ccc2[nH]cc(CCNCc3cccc(Oc4ccccc4)c3)c2c1
|
CO.Cl.O=[N+]([O-])c1ccc2[nH]cc(CCNCc3cccc(Oc4ccccc4)c3)c2c1.[BH4-].[Na+]>>Nc1ccc2[nH]cc(CCNCc3cccc(Oc4ccccc4)c3)c2c1
|
US07157488B2_0548grants
|
29ca0675f289c37a0fb8db59336632a63a8f72dcd29783a31d44e8ac
|
CO.Cl.O=[N+:1]([O-])[c:2]1[cH:3][cH:4][c:5]2[nH:6][cH:7][c:8]([CH2:9][CH2:10][NH:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:25]3)[c:26]2[cH:27]1.[BH4-].[Na+]
|
[NH2:1][c:2]1[cH:3][cH:4][c:5]2[nH:6][cH:7][c:8]([CH2:9][CH2:10][NH:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][c:17]([O:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:25]3)[c:26]2[cH:27]1
|
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
|
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
| 1 | 1 |
CO.Cl.[BH4-].[Na+]
| 1 |
132,937 | 484,081 | 815,513 |
[NH2:1][CH2:2][CH:3]1[CH2:16][C:15]2[C:6](=[C:7]([NH2:18])[C:8]3[C:13]([N:14]=2)=[CH:12][C:11]([Cl:17])=[CH:10][CH:9]=3)[CH2:5][CH2:4]1.[S:19]1[CH2:23][CH2:22][CH:21]([CH2:24][C:25](O)=[O:26])[S:20]1.C1[C@@H](CC(O)=O)SSC1.Cl.CN(C)CCCN=C=NCC>CN(C=O)C>[NH2:18][C:7]1[C:8]2[C:13]([N:14]=[C:15]3[C:6]=1[CH2:5][CH2:4][CH:3]([CH2:2][NH:1][C:25](=[O:26])[CH2:24][CH:21]1[CH2:22][CH2:23][S:19][S:20]1)[CH2:16]3)=[CH:12][C:11]([Cl:17])=[CH:10][CH:9]=2
|
|f:3.4|
|
US07307083B2_0095
| 2,007 |
CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O=C(O)C[C@@H]1CCSS1.O[C:17](=[O:18])[CH2:19][CH:20]1[CH2:21][CH2:22][S:23][S:24]1.[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][c:8]([Cl:9])[cH:10][cH:11][c:12]13)[CH2:13][CH:14]([CH2:15][NH2:16])[CH2:25][CH2:26]2>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][c:8]([Cl:9])[cH:10][cH:11][c:12]13)[CH2:13][CH:14]([CH2:15][NH:16][C:17](=[O:18])[CH2:19][CH:20]1[CH2:21][CH2:22][S:23][S:24]1)[CH2:25][CH2:26]2
| 0.463244 |
CCN=C=NCCCN(C)C~Cl.CN(C)C=O.NCC1CCc2c(nc3cc(Cl)ccc3c2N)C1.O=C(O)CC1CCSS1.O=C(O)C[C@@H]1CCSS1>>Nc1c2c(nc3cc(Cl)ccc13)CC(CNC(=O)CC1CCSS1)CC2
|
CCN=C=NCCCN(C)C.CN(C)C=O.Cl.NCC1CCc2c(nc3cc(Cl)ccc3c2N)C1.O=C(O)CC1CCSS1.O=C(O)C[C@@H]1CCSS1>>Nc1c2c(nc3cc(Cl)ccc13)CC(CNC(=O)CC1CCSS1)CC2
|
US07307083B2_0095grants
|
74bdc8367fa38c32b60b46c5352615f79235bd457e4163da99ad7e11
|
CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O=C(O)C[C@@H]1CCSS1.O[C:17](=[O:18])[CH2:19][CH:20]1[CH2:21][CH2:22][S:23][S:24]1.[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][c:8]([Cl:9])[cH:10][cH:11][c:12]13)[CH2:13][CH:14]([CH2:15][NH2:16])[CH2:25][CH2:26]2
|
[NH2:1][c:2]1[c:3]2[c:4]([n:5][c:6]3[cH:7][c:8]([Cl:9])[cH:10][cH:11][c:12]13)[CH2:13][CH:14]([CH2:15][NH:16][C:17](=[O:18])[CH2:19][CH:20]1[CH2:21][CH2:22][S:23][S:24]1)[CH2:25][CH2:26]2
|
([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 |
CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O=C(O)C[C@@H]1CCSS1
| 230 |
367,642 | 725,747 | null |
[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[N:17]=[CH:18][N:19]([C@@H:27]3[CH2:32][CH2:31][CH2:30][CH2:29][C@:28]3([CH2:34][O:35][CH3:36])[OH:33])[C:20]=2[C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)=[O:15])[C@H:10]([CH2:37][CH2:38][OH:39])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:40]1(O)[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CCOC(/N=N/C(OCC)=O)=O>C1COCC1>[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[N:17]=[CH:18][N:19]([C@@H:27]3[CH2:32][CH2:31][CH2:30][CH2:29][C@:28]3([CH2:34][O:35][CH3:36])[OH:33])[C:20]=2[C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)=[O:15])[C@H:10]([CH2:37][CH2:38][O:39][C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
| null |
US20090156612A1_2229
| 2,009 |
C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.O[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:1][O:2][CH2:3][C@:4]1([OH:5])[CH2:6][CH2:7][CH2:8][CH2:9][C@H:10]1[n:11]1[cH:12][n:13][c:14]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:28][C@H:29]2[CH2:30][CH2:31][OH:32])[c:39]1-[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>[CH3:1][O:2][CH2:3][C@:4]1([OH:5])[CH2:6][CH2:7][CH2:8][CH2:9][C@H:10]1[n:11]1[cH:12][n:13][c:14]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:28][C@H:29]2[CH2:30][CH2:31][O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]1-[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1
| 0.471746 |
C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CCO)c1-c1ccccc1.Oc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CCOc2ccccc2)c1-c1ccccc1
|
C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CCO)c1-c1ccccc1.Oc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2CCOc2ccccc2)c1-c1ccccc1
|
US20090156612A1_2229apps
|
e5dc3ef10b1b283f9045633a0bc308ca60141413cede292948372903
|
C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.O[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH3:1][O:2][CH2:3][C@:4]1([OH:5])[CH2:6][CH2:7][CH2:8][CH2:9][C@H:10]1[n:11]1[cH:12][n:13][c:14]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:28][C@H:29]2[CH2:30][CH2:31][OH:32])[c:39]1-[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
|
[CH3:1][O:2][CH2:3][C@:4]1([OH:5])[CH2:6][CH2:7][CH2:8][CH2:9][C@H:10]1[n:11]1[cH:12][n:13][c:14]([C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:28][C@H:29]2[CH2:30][CH2:31][O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]1-[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]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
| 1 | 1 |
C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
| 550 |
77,508 | 314,688 | 534,135 |
[CH2:1]([O:8][CH2:9][C@H:10]([C@H:19]([C@@H:21]([C@@H:23]([CH2:25][O:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)[OH:24])[OH:22])[OH:20])[O:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N+:34]([C:37]1[CH:44]=[CH:43][C:40]([CH2:41]Br)=[CH:39][CH:38]=1)([O-:36])=[O:35]>>[CH2:1]([O:8][CH2:9][C@H:10]([C@H:19]([C@@H:21]([C@@H:23]([CH2:25][O:26][CH2:27][C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1)[O:24][CH2:41][C:40]1[CH:43]=[CH:44][C:37]([N+:34]([O-:36])=[O:35])=[CH:38][CH:39]=1)[OH:22])[OH:20])[O:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
| null |
US06313177B1_
| 2,001 |
Br[CH2:8][c:7]1[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:43][cH:42]1.[OH:9][C@H:10]([CH2:11][O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@@H:20]([OH:21])[C@H:22]([OH:23])[C@@H:24]([CH2:25][O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C@H:10]([CH2:11][O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C@@H:20]([OH:21])[C@H:22]([OH:23])[C@@H:24]([CH2:25][O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43]1
| 0.425496 |
O=[N+]([O-])c1ccc(CBr)cc1.O[C@H](COCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1>>O=[N+]([O-])c1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1
|
O=[N+]([O-])c1ccc(CBr)cc1.O[C@H](COCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1>>O=[N+]([O-])c1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccccc2)cc1
|
US06313177B1_grants
|
d41532f9b916d26b0820fec849df0d661a159e1454ede52177b15a7d
|
Br[CH2:8][c:7]1[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:43][cH:42]1.[OH:9][C@H:10]([CH2:11][O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@@H:20]([OH:21])[C@H:22]([OH:23])[C@@H:24]([CH2:25][O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1
|
[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][O:9][C@H:10]([CH2:11][O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C@@H:20]([OH:21])[C@H:22]([OH:23])[C@@H:24]([CH2:25][O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43]1
|
([C:3]-[O;H0;D2;+0:4]-[CH2;D2;+0:1]-[c:2])>>(Br-[CH2;D2;+0:1]-[c:2]).([C:3]-[OH;D1;+0:4])
|
701cdfdda3ad4b079558ae8f26ac582ff4b30dfe8686db2b01ac2d32
| 0.25 | 4 | null | 464 |
121,383 | 449,859 | 764,144 |
P(Cl)(Cl)(Cl)=O.[Cl:6][C:7]1[C:15]([F:16])=[C:14]2[C:10]([CH:11]=[CH:12][NH:13]2)=[CH:9][CH:8]=1.[OH-].[Na+].O.CN([CH:23]=[O:24])C>>[CH:23]([C:11]1[C:10]2[C:14](=[C:15]([F:16])[C:7]([Cl:6])=[CH:8][CH:9]=2)[NH:13][CH:12]=1)=[O:24]
|
|f:2.3|
|
US07157488B2_0492
| 2,007 |
CN(C)[CH:2]=[O:1].O.O=P(Cl)(Cl)Cl.[Na+].[OH-].[cH:3]1[cH:4][nH:5][c:6]2[c:7]([F:8])[c:9]([Cl:10])[cH:11][cH:12][c:13]12>>[O:1]=[CH:2][c:3]1[cH:4][nH:5][c:6]2[c:7]([F:8])[c:9]([Cl:10])[cH:11][cH:12][c:13]12
| 0.95324 |
CN(C)C=O.Fc1c(Cl)ccc2cc[nH]c12.O.O=P(Cl)(Cl)Cl.[Na+]~[OH-]>>O=Cc1c[nH]c2c(F)c(Cl)ccc12
|
CN(C)C=O.Fc1c(Cl)ccc2cc[nH]c12.O.O=P(Cl)(Cl)Cl.[Na+].[OH-]>>O=Cc1c[nH]c2c(F)c(Cl)ccc12
|
US07157488B2_0492grants
|
1794b2f2b7cd550dc64678de638afa69c1734b19820886c65ee41108
|
CN(C)[CH:2]=[O:1].O.O=P(Cl)(Cl)Cl.[Na+].[OH-].[cH:3]1[cH:4][nH:5][c:6]2[c:7]([F:8])[c:9]([Cl:10])[cH:11][cH:12][c:13]12
|
[O:1]=[CH:2][c:3]1[cH:4][nH:5][c:6]2[c:7]([F:8])[c:9]([Cl:10])[cH:11][cH:12][c:13]12
|
([O;D1;H0:2]=[CH;D2;+0:1]-[c;H0;D3;+0:5]1:[c:6]:[c:7]:[#7;a:3]:[c:4]:1)>>(C-N(-C)-[CH;D2;+0:1]=[O;D1;H0:2]).([#7;a:3]1:[c:4]:[cH;D2;+0:5]:[c:6]:[c:7]:1)
|
1cee9ef5df7cd9be889824a0db06ab6be478d70db180093c294e9dd7
| 1 | 1 |
O.O=P(Cl)(Cl)Cl.[Na+].[OH-]
| 266 |
232,850 | 778,351 | 1,284,236 |
[CH2:1]([O:8][CH2:9][C:10]([CH3:16])([CH3:15])[C:11]([O:13]C)=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+].Cl>C1COCC1>[CH2:1]([O:8][CH2:9][C:10]([CH3:16])([CH3:15])[C:11]([OH:13])=[O:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
|
|f:1.2|
|
US08372859B2_1494
| 2,013 |
C1CCOC1.C[O:15][C:13]([C:2]([CH3:1])([CH3:3])[CH2:4][O:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)=[O:14].Cl.[Na+].[OH-]>>[CH3:1][C:2]([CH3:3])([CH2:4][O:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[OH:15]
| 0.534306 |
C1CCOC1.COC(=O)C(C)(C)COCc1ccccc1.Cl.[Na+]~[OH-]>>CC(C)(COCc1ccccc1)C(=O)O
|
C1CCOC1.COC(=O)C(C)(C)COCc1ccccc1.Cl.[Na+].[OH-]>>CC(C)(COCc1ccccc1)C(=O)O
|
US08372859B2_1494grants
|
d3207edc06e53651fd3e30c1c55f7d610a0922d179fc02d248e304ee
|
C1CCOC1.C[O:15][C:13]([C:2]([CH3:1])([CH3:3])[CH2:4][O:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)=[O:14].Cl.[Na+].[OH-]
|
[CH3:1][C:2]([CH3:3])([CH2:4][O:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[OH:15]
|
([C:5]-[C:4](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1])>>(C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[C:5])(-[C;D1;H3:6])-[C;D1;H3:7])
|
5f9f35ee69ba1d8ca146fb477767bb3831800b99139e61ba7a568acb
| 1 | 1 |
C1CCOC1.Cl.[Na+].[OH-]
| 361 |
86,859 | 346,321 | 590,764 |
[CH2:1]([N:8]1[C:20]2[CH:19]=[CH:18][CH:17]=[C:16]([OH:21])[C:15]=2[C:14]2[C:9]1=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].Cl.[CH2:29]([N:31]([CH2:34][CH2:35]Cl)[CH2:32][CH3:33])[CH3:30]>CN(C=O)C>[CH2:1]([N:8]1[C:20]2[CH:19]=[CH:18][CH:17]=[C:16]([O:21][CH2:30][CH2:29][N:31]([CH2:34][CH3:35])[CH2:32][CH3:33])[C:15]=2[C:14]2[C:9]1=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
|
|f:1.2.3,4.5|
|
US06514968B1_
| 2,003 |
CN(C)C=O.Cl.Cl[CH2:7][CH2:6][N:3]([CH2:2][CH3:1])[CH2:4][CH3:5].O=C([O-])[O-].[K+].[K+].[OH:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][c:20]1[n:21]2[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][c:20]1[n:21]2[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1
| 0.787934 |
CCN(CC)CCCl~Cl.CN(C)C=O.O=C([O-])[O-]~[K+]~[K+].Oc1cccc2c1c1ccccc1n2Cc1ccccc1>>CCN(CC)CCOc1cccc2c1c1ccccc1n2Cc1ccccc1
|
CCN(CC)CCCl.CN(C)C=O.Cl.O=C([O-])[O-].Oc1cccc2c1c1ccccc1n2Cc1ccccc1.[K+].[K+]>>CCN(CC)CCOc1cccc2c1c1ccccc1n2Cc1ccccc1
|
US06514968B1_grants
|
cb1cb4bfade92c9a9835a0c9012d4e4a08ce4fe9c2b5eb41c8c5557e
|
CN(C)C=O.Cl.Cl[CH2:7][CH2:6][N:3]([CH2:2][CH3:1])[CH2:4][CH3:5].O=C([O-])[O-].[K+].[K+].[OH:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][c:20]1[n:21]2[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1
|
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][c:20]1[n:21]2[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]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 |
CN(C)C=O.Cl.O=C([O-])[O-].[K+].[K+]
| 74 |
389,173 | 1,104,948 | null |
[CH3:1][CH:2]([CH2:4][CH2:5][CH2:6][C@H:7]([C@@H:9]1[C@:27]2([CH3:28])[C@H:12]([C@H:13]3[C@H:24]([CH2:25][CH2:26]2)[C@:22]2([CH3:23])[C:16]([CH2:17][C@H:18]([CH2:20][CH2:21]2)[OH:19])=[CH:15][CH2:14]3)[CH2:11][CH2:10]1)[CH3:8])[CH3:3].[S:29](Cl)([C:32]1[CH:38]=[CH:37][C:35]([CH3:36])=[CH:34][CH:33]=1)(=[O:31])=[O:30].C(Cl)Cl.CO>N1C=CC=CC=1>[CH3:36][C:35]1[CH:37]=[CH:38][C:32]([S:29]([O:19][C@H:18]2[CH2:20][CH2:21][C@@:22]3([CH3:23])[C:16](=[CH:15][CH2:14][C@@H:13]4[C@@H:24]3[CH2:25][CH2:26][C@@:27]3([CH3:28])[C@H:12]4[CH2:11][CH2:10][C@@H:9]3[C@H:7]([CH3:8])[CH2:6][CH2:5][CH2:4][CH:2]([CH3:1])[CH3:3])[CH2:17]2)(=[O:31])=[O:30])=[CH:33][CH:34]=1
| null |
US20110224447A1_0038
| 2,011 |
CO.ClCCl.Cl[S:6]([c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:38][cH:37]1)(=[O:7])=[O:8].[OH:9][C@H:10]1[CH2:11][CH2:12][C@@:13]2([CH3:14])[C:15](=[CH:16][CH2:17][C@@H:18]3[C@@H:19]2[CH2:20][CH2:21][C@@:22]2([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@@H:27]2[C@H:28]([CH3:29])[CH2:30][CH2:31][CH2:32][CH:33]([CH3:34])[CH3:35])[CH2:36]1.c1ccncc1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:9][C@H:10]2[CH2:11][CH2:12][C@@:13]3([CH3:14])[C:15](=[CH:16][CH2:17][C@@H:18]4[C@@H:19]3[CH2:20][CH2:21][C@@:22]3([CH3:23])[C@H:24]4[CH2:25][CH2:26][C@@H:27]3[C@H:28]([CH3:29])[CH2:30][CH2:31][CH2:32][CH:33]([CH3:34])[CH3:35])[CH2:36]2)[cH:37][cH:38]1
| 0.372386 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CO.Cc1ccc(S(=O)(=O)Cl)cc1.ClCCl.c1ccncc1>>Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)cc1
|
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.CO.Cc1ccc(S(=O)(=O)Cl)cc1.ClCCl.c1ccncc1>>Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)cc1
|
US20110224447A1_0038apps
|
b387bfb1e67d195cee9ef3bbc8aa22bc6d9fbe11a29cfc3aec3d8d6e
|
CO.ClCCl.Cl[S:6]([c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:38][cH:37]1)(=[O:7])=[O:8].[OH:9][C@H:10]1[CH2:11][CH2:12][C@@:13]2([CH3:14])[C:15](=[CH:16][CH2:17][C@@H:18]3[C@@H:19]2[CH2:20][CH2:21][C@@:22]2([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@@H:27]2[C@H:28]([CH3:29])[CH2:30][CH2:31][CH2:32][CH:33]([CH3:34])[CH3:35])[CH2:36]1.c1ccncc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:9][C@H:10]2[CH2:11][CH2:12][C@@:13]3([CH3:14])[C:15](=[CH:16][CH2:17][C@@H:18]4[C@@H:19]3[CH2:20][CH2:21][C@@:22]3([CH3:23])[C@H:24]4[CH2:25][CH2:26][C@@H:27]3[C@H:28]([CH3:29])[CH2:30][CH2:31][CH2:32][CH:33]([CH3:34])[CH3:35])[CH2:36]2)[cH:37][cH:38]1
|
([C:5]-[O;H0;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]-[OH;D1;+0:6])
|
2a680215c1c69f116045ff1696194ac3ca890d5406b0abc3856bedc8
| 1 | 1 |
CO.ClCCl.c1ccncc1
| 197 |
267,333 | 879,239 | 1,463,687 |
Cl[C:2]1[CH:11]=[CH:10][N:9]=[C:8]2[C:3]=1[C:4]1[CH:16]=[CH:15][CH:14]=[CH:13][C:5]=1[C:6](=[O:12])[NH:7]2.[F:17][C:18]([F:27])([F:26])[C:19]1[CH:20]=[C:21]([CH:23]=[CH:24][CH:25]=1)[NH2:22]>>[F:17][C:18]([F:26])([F:27])[C:19]1[CH:20]=[C:21]([NH:22][C:2]2[CH:11]=[CH:10][N:9]=[C:8]3[C:3]=2[C:4]2[CH:16]=[CH:15][CH:14]=[CH:13][C:5]=2[C:6](=[O:12])[NH:7]3)[CH:23]=[CH:24][CH:25]=1
| null |
US08735584B2_0669
| 2,014 |
Cl[c:8]1[cH:7][cH:6][n:5][c:4]2[nH:3][c:2](=[O:1])[c:26]3[c:21]([c:20]21)[cH:22][cH:23][cH:24][cH:25]3.[NH2:9][c:10]1[cH:11][cH:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19]1>>[O:1]=[c:2]1[nH:3][c:4]2[n:5][cH:6][cH:7][c:8]([NH:9][c:10]3[cH:11][cH:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19]3)[c:20]2[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12
| 0.350701 |
Nc1cccc(C(F)(F)F)c1.O=c1[nH]c2nccc(Cl)c2c2ccccc12>>O=c1[nH]c2nccc(Nc3cccc(C(F)(F)F)c3)c2c2ccccc12
|
Nc1cccc(C(F)(F)F)c1.O=c1[nH]c2nccc(Cl)c2c2ccccc12>>O=c1[nH]c2nccc(Nc3cccc(C(F)(F)F)c3)c2c2ccccc12
|
US08735584B2_0669grants
|
c8dbac34cead857fc92402863e77e72b8a781716f9d79fd0467830f4
|
Cl[c:8]1[cH:7][cH:6][n:5][c:4]2[nH:3][c:2](=[O:1])[c:26]3[c:21]([c:20]21)[cH:22][cH:23][cH:24][cH:25]3.[NH2:9][c:10]1[cH:11][cH:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19]1
|
[O:1]=[c:2]1[nH:3][c:4]2[n:5][cH:6][cH:7][c:8]([NH:9][c:10]3[cH:11][cH:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19]3)[c:20]2[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]12
|
([#7;a:4]:[c:3]1:[#7;a:5]:[c:6]:[c:7]:[c;H0;D3;+0:1](-[NH;D2;+0:8]-[c:9]):[c:2]:1)>>(Cl-[c;H0;D3;+0:1]1:[c:2]:[c:3](:[#7;a:4]):[#7;a:5]:[c:6]:[c:7]:1).([NH2;D1;+0:8]-[c:9])
|
3532ba2ddce922aa9643e5bd734b21dc5570124c0cb47306f629f1c1
| 1 | 1 | null | 922 |
78,771 | 318,853 | 540,609 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([OH:11])=[O:10])=[CH:4][CH:3]=1.[C:12]([O:16][C:17](O[C:17]([O:16][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:18])=[O:18])([CH3:15])([CH3:14])[CH3:13]>C1COCC1.O>[C:12]([O:16][C:17]([NH:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][C:9]([OH:11])=[O:10])=[CH:6][CH:7]=1)=[O:18])([CH3:15])([CH3:14])[CH3:13]
|
|f:2.3|
|
US06335445B1_
| 2,002 |
C1CCOC1.CC(C)(C)OC(=O)O[C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].O.[NH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18]1
| 0.187729 |
C1CCOC1~O.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(CC(=O)O)cc1>>CC(C)(C)OC(=O)Nc1ccc(CC(=O)O)cc1
|
C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccc(CC(=O)O)cc1.O>>CC(C)(C)OC(=O)Nc1ccc(CC(=O)O)cc1
|
US06335445B1_grants
|
fbb668006941698f4d9d347e15a5bcc88bd9c2f499baa3cf669a81b0
|
C1CCOC1.CC(C)(C)OC(=O)O[C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].O.[NH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18]1
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[cH:10][cH:11][c:12]([CH2:13][C:14](=[O:15])[OH:16])[cH:17][cH:18]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-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])
|
dfd4a94a902e3babedba1e504ef44185b3b9e2bdf52136b6341cb77f
| 1 | 1 |
C1CCOC1.O
| 735 |
397,933 | 1,317,797 | null |
Br[C:2]1[C:3]([Cl:10])=[N:4][CH:5]=[C:6]([O:8][CH3:9])[CH:7]=1.[CH3:11][C:12]1[CH:17]=[CH:16][C:15]([N:18]2[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]2)=[CH:14][CH:13]=1.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.CC(C)([O-])C.[Na+]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(C)C=CC=CC=1>[Cl:10][C:3]1[C:2]([N:21]2[CH2:22][CH2:23][N:18]([C:15]3[CH:16]=[CH:17][C:12]([CH3:11])=[CH:13][CH:14]=3)[CH2:19][CH2:20]2)=[CH:7][C:6]([O:8][CH3:9])=[CH:5][N:4]=1
|
|f:3.4,5.6.7|
|
US20130005710A1_0911
| 2,013 |
Br[c:8]1[c:6]([Cl:7])[n:5][cH:4][c:3]([O:2][CH3:1])[cH:22]1.CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].Cc1ccccc1.[NH:9]1[CH2:10][CH2:11][N:12]([c:13]2[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]2)[CH2:20][CH2:21]1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>[CH3:1][O:2][c:3]1[cH:4][n:5][c:6]([Cl:7])[c:8]([N:9]2[CH2:10][CH2:11][N:12]([c:13]3[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]3)[CH2:20][CH2:21]2)[cH:22]1
| 0.789955 |
CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CC(C)(C)[O-]~[Na+].COc1cnc(Cl)c(Br)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>COc1cnc(Cl)c(N2CCN(c3ccc(C)cc3)CC2)c1
|
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].COc1cnc(Cl)c(Br)c1.Cc1ccc(N2CCNCC2)cc1.Cc1ccccc1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>COc1cnc(Cl)c(N2CCN(c3ccc(C)cc3)CC2)c1
|
US20130005710A1_0911apps
|
ef045a091ce71e75ba3cc083c6b785f1bf03c49c64ad4cbefc09b5ce
|
Br[c:8]1[c:6]([Cl:7])[n:5][cH:4][c:3]([O:2][CH3:1])[cH:22]1.CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].Cc1ccccc1.[NH:9]1[CH2:10][CH2:11][N:12]([c:13]2[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]2)[CH2:20][CH2:21]1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
|
[CH3:1][O:2][c:3]1[cH:4][n:5][c:6]([Cl:7])[c:8]([N:9]2[CH2:10][CH2:11][N:12]([c:13]3[cH:14][cH:15][c:16]([CH3:17])[cH:18][cH:19]3)[CH2:20][CH2:21]2)[cH:22]1
|
([#7;a:4]:[c:3]:[c;H0;D3;+0:1](:[c:2])-[N;H0;D3;+0:6](-[C:5])-[C:7])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]:[#7;a:4]).([C:5]-[NH;D2;+0:6]-[C:7])
|
ec429837641f18d56efe064ec6d9dfa67c754a79b008b71b3d66701b
| 1 | 1 |
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].Cc1ccccc1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
| 597 |
358,798 | 603,722 | null |
Cl[S:2]([C:5]1[CH:6]=[C:7]([CH:11]=[CH:12][CH:13]=1)[C:8]([OH:10])=[O:9])(=[O:4])=[O:3].[CH3:14][NH:15][CH3:16]>C(Cl)Cl>[CH3:14][N:15]([CH3:16])[S:2]([C:5]1[CH:6]=[C:7]([CH:11]=[CH:12][CH:13]=1)[C:8]([OH:10])=[O:9])(=[O:4])=[O:3]
| null |
US20080207616A1_0305
| 2,008 |
ClCCl.Cl[S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15]1.[CH3:1][NH:2][CH3:3]>>[CH3:1][N:2]([CH3:3])[S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15]1
| 0.593369 |
CNC.ClCCl.O=C(O)c1cccc(S(=O)(=O)Cl)c1>>CN(C)S(=O)(=O)c1cccc(C(=O)O)c1
|
CNC.ClCCl.O=C(O)c1cccc(S(=O)(=O)Cl)c1>>CN(C)S(=O)(=O)c1cccc(C(=O)O)c1
|
US20080207616A1_0305apps
|
7910f2c795ac8ba6d016966dab7edda425498c3fa2c52970c60fe425
|
ClCCl.Cl[S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15]1.[CH3:1][NH:2][CH3:3]
|
[CH3:1][N:2]([CH3:3])[S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15]1
|
([C;D1;H3:5]-[N;H0;D3;+0:6](-[C;D1;H3:7])-[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;D1;H3:5]-[NH;D2;+0:6]-[C;D1;H3:7])
|
1c3a913f221c79d5ab4e40f13ae7431f2711f9942a72ad3fc8bf5434
| 1 | 1 |
ClCCl
| 99 |
31,879 | 146,058 | 234,696 |
[C:1]([C:4]1[CH:14]=[CH:13][C:7]([NH:8][S:9]([CH3:12])(=[O:11])=[O:10])=[C:6]([NH2:15])[CH:5]=1)(=[O:3])[CH3:2].[F:16][C:17]1[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:18]=1[C:19](Cl)=[O:20]>N1C=CC=CC=1>[C:1]([C:4]1[CH:14]=[CH:13][C:7]([NH:8][S:9]([CH3:12])(=[O:11])=[O:10])=[C:6]([NH:15][C:19](=[O:20])[C:18]2[CH:22]=[CH:23][C:24]([F:26])=[CH:25][C:17]=2[F:16])[CH:5]=1)(=[O:3])[CH3:2]
| null |
US05034417_
| 1,991 |
Cl[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([F:21])[cH:22][c:23]1[F:24].[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][S:9]([CH3:10])(=[O:11])=[O:12])[c:13]([NH2:14])[cH:25]1.c1ccncc1>>[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][S:9]([CH3:10])(=[O:11])=[O:12])[c:13]([NH:14][C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20]([F:21])[cH:22][c:23]2[F:24])[cH:25]1
| 0.607436 |
CC(=O)c1ccc(NS(C)(=O)=O)c(N)c1.O=C(Cl)c1ccc(F)cc1F.c1ccncc1>>CC(=O)c1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(F)cc2F)c1
|
CC(=O)c1ccc(NS(C)(=O)=O)c(N)c1.O=C(Cl)c1ccc(F)cc1F.c1ccncc1>>CC(=O)c1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(F)cc2F)c1
|
US05034417_grants
|
b76274dd0760c70b1c24469be5072db8a0587c20012c0c6821b16b64
|
Cl[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([F:21])[cH:22][c:23]1[F:24].[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][S:9]([CH3:10])(=[O:11])=[O:12])[c:13]([NH2:14])[cH:25]1.c1ccncc1
|
[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][S:9]([CH3:10])(=[O:11])=[O:12])[c:13]([NH:14][C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20]([F:21])[cH:22][c:23]2[F:24])[cH:25]1
|
([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 |
c1ccncc1
| 11 |
181,201 | 628,940 | 1,040,925 |
[CH2:1]([O:5][C:6]1[C:14]2[CH:13]=[C:12]([C:15]([OH:17])=O)[S:11][C:10]=2[CH:9]=[CH:8][CH:7]=1)[CH:2]([CH3:4])[CH3:3].Cl.Cl.Cl.[N:21]1([CH2:27][CH2:28][N:29]2[CH2:34][CH2:33][CH:32]([NH2:35])[CH2:31][CH2:30]2)[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1>>[N:21]1([CH2:27][CH2:28][N:29]2[CH2:30][CH2:31][CH:32]([NH:35][C:15]([C:12]3[S:11][C:10]4[CH:9]=[CH:8][CH:7]=[C:6]([O:5][CH2:1][CH:2]([CH3:3])[CH3:4])[C:14]=4[CH:13]=3)=[O:17])[CH2:33][CH2:34]2)[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1
|
|f:1.2.3.4|
|
US07858781B2_1243
| 2,010 |
Cl.Cl.Cl.O[C:13]([c:12]1[s:11][c:10]2[cH:9][cH:8][cH:7][c:6]([O:5][CH2:4][CH:2]([CH3:1])[CH3:3])[c:31]2[cH:30]1)=[O:14].[NH2:15][CH:16]1[CH2:17][CH2:18][N:19]([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:28][CH2:29]1>>[CH3:1][CH:2]([CH3:3])[CH2:4][O:5][c:6]1[cH:7][cH:8][cH:9][c:10]2[s:11][c:12]([C:13](=[O:14])[NH:15][CH:16]3[CH2:17][CH2:18][N:19]([CH2:20][CH2:21][N:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[CH2:28][CH2:29]3)[cH:30][c:31]12
| 0.746517 |
CC(C)COc1cccc2sc(C(=O)O)cc12.Cl~Cl~Cl~NC1CCN(CCN2CCCCC2)CC1>>CC(C)COc1cccc2sc(C(=O)NC3CCN(CCN4CCCCC4)CC3)cc12
|
CC(C)COc1cccc2sc(C(=O)O)cc12.Cl.Cl.Cl.NC1CCN(CCN2CCCCC2)CC1>>CC(C)COc1cccc2sc(C(=O)NC3CCN(CCN4CCCCC4)CC3)cc12
|
US07858781B2_1243grants
|
7398feda7d4dca68e4c62b64b77c9aed67e8b78cb191154daae1997c
|
Cl.Cl.Cl.O[C:13]([c:12]1[s:11][c:10]2[cH:9][cH:8][cH:7][c:6]([O:5][CH2:4][CH:2]([CH3:1])[CH3:3])[c:31]2[cH:30]1)=[O:14].[NH2:15][CH:16]1[CH2:17][CH2:18][N:19]([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:28][CH2:29]1
|
[CH3:1][CH:2]([CH3:3])[CH2:4][O:5][c:6]1[cH:7][cH:8][cH:9][c:10]2[s:11][c:12]([C:13](=[O:14])[NH:15][CH:16]3[CH2:17][CH2:18][N:19]([CH2:20][CH2:21][N:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)[CH2:28][CH2:29]3)[cH:30][c:31]12
|
([#16;a:4]:[c:3]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:6]-[C:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#16;a:4]).([C:5]-[NH2;D1;+0:6])
|
5bb56310c7e4f3afa8eb9f308cf2a936bbefe860ff713537ff3aa57d
| 1 | 1 |
Cl.Cl.Cl
| 736 |
208,328 | 705,353 | 1,162,780 |
[CH2:1]([O:5][C:6]1[CH:7]=[C:8]([CH2:20][CH2:21][C:22]([O:24][CH3:25])=[O:23])[CH:9]=[CH:10][C:11]=1[C:12]1[CH:16]=[C:15](CNC)[S:14][CH:13]=1)[CH2:2][CH2:3][CH3:4].[CH3:26][N:27]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31]N=1)[CH3:28].[C:35](Cl)(=O)[CH2:36][CH2:37]CCCCC.C(=O)([O-])[OH:46].[Na+]>ClCCl.C(N(CC)CC)C>[CH2:1]([O:5][C:6]1[CH:7]=[C:8]([CH2:20][CH2:21][C:22]([O:24][CH3:25])=[O:23])[CH:9]=[CH:10][C:11]=1[C:12]1[CH:16]=[C:15]([CH2:26][N:27]([CH3:28])[C:29](=[O:46])[CH2:34][CH2:33][CH2:32][CH2:31][CH2:35][CH2:36][CH3:37])[S:14][CH:13]=1)[CH2:2][CH2:3][CH3:4]
|
|f:3.4|
|
US08129416B2_0312
| 2,012 |
CCN(CC)CC.CN(C)c1ccccn1.ClCCl.Cl[C:8]([CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:9].O=C([O-])O.[NH:10]([CH3:11])[CH2:12][c:13]1[cH:14][c:15](-[c:16]2[cH:17][cH:18][c:19]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:26][c:27]2[O:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:33][s:34]1.[Na+]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[N:10]([CH3:11])[CH2:12][c:13]1[cH:14][c:15](-[c:16]2[cH:17][cH:18][c:19]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:26][c:27]2[O:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:33][s:34]1
| 0.922394 |
CCCCCCCC(=O)Cl.CCCCOc1cc(CCC(=O)OC)ccc1-c1csc(CNC)c1.CCN(CC)CC.CN(C)c1ccccn1.ClCCl.O=C([O-])O~[Na+]>>CCCCCCCC(=O)N(C)Cc1cc(-c2ccc(CCC(=O)OC)cc2OCCCC)cs1
|
CCCCCCCC(=O)Cl.CCCCOc1cc(CCC(=O)OC)ccc1-c1csc(CNC)c1.CCN(CC)CC.CN(C)c1ccccn1.ClCCl.O=C([O-])O.[Na+]>>CCCCCCCC(=O)N(C)Cc1cc(-c2ccc(CCC(=O)OC)cc2OCCCC)cs1
|
US08129416B2_0312grants
|
7359cfe08dd72fc6385f7e486e3e19f75087335d9d7536295bf08ee4
|
CCN(CC)CC.CN(C)c1ccccn1.ClCCl.Cl[C:8]([CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:9].O=C([O-])O.[NH:10]([CH3:11])[CH2:12][c:13]1[cH:14][c:15](-[c:16]2[cH:17][cH:18][c:19]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:26][c:27]2[O:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:33][s:34]1.[Na+]
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[N:10]([CH3:11])[CH2:12][c:13]1[cH:14][c:15](-[c:16]2[cH:17][cH:18][c:19]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:26][c:27]2[O:28][CH2:29][CH2:30][CH2:31][CH3:32])[cH:33][s:34]1
|
([C:4]-[N;H0;D3;+0:5](-[C;D1;H3:6])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C;D1;H3:6])
|
58bfc612ddb3c3923670b0fade9423da56792769e45e6b088debac9e
| 1 | 1 |
CCN(CC)CC.CN(C)c1ccccn1.ClCCl.O=C([O-])O.[Na+]
| 125 |
155,797 | 553,775 | 926,118 |
[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.[NH2:20][C:21]1[CH:22]=[C:23]2[C:27](=[CH:28][CH:29]=1)[NH:26][N:25]=[C:24]2[CH2:30][CH3:31].C(Cl)CCl.CCN(CC)CC>CN(C=O)C.CCOC(C)=O.Cl>[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:20][C:21]2[CH:22]=[C:23]3[C:27](=[CH:28][CH:29]=2)[NH:26][N:25]=[C:24]3[CH2:30][CH3:31])=[O:18])=[C:4]([F:19])[CH:3]=1
| null |
US07592357B2_0267
| 2,009 |
CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Cl.ClCCCl.O[C:11](=[O:12])[C:13]1=[C:14]([CH3:15])[NH:16][C:17](=[O:18])[CH2:19][CH:20]1[c:21]1[cH:22][cH:23][c:24]([Cl:25])[cH:26][c:27]1[F:28].[CH3:1][CH2:2][c:3]1[n:4][nH:5][c:6]2[cH:7][cH:8][c:9]([NH2:10])[cH:29][c:30]12>>[CH3:1][CH2:2][c:3]1[n:4][nH:5][c:6]2[cH:7][cH:8][c:9]([NH:10][C:11](=[O:12])[C:13]3=[C:14]([CH3:15])[NH:16][C:17](=[O:18])[CH2:19][CH:20]3[c:21]3[cH:22][cH:23][c:24]([Cl:25])[cH:26][c:27]3[F:28])[cH:29][c:30]12
| 0.910235 |
CC1=C(C(=O)O)C(c2ccc(Cl)cc2F)CC(=O)N1.CCN(CC)CC.CCOC(C)=O.CCc1n[nH]c2ccc(N)cc12.CN(C)C=O.Cl.ClCCCl>>CCc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(Cl)cc3F)cc12
|
CC1=C(C(=O)O)C(c2ccc(Cl)cc2F)CC(=O)N1.CCN(CC)CC.CCOC(C)=O.CCc1n[nH]c2ccc(N)cc12.CN(C)C=O.Cl.ClCCCl>>CCc1n[nH]c2ccc(NC(=O)C3=C(C)NC(=O)CC3c3ccc(Cl)cc3F)cc12
|
US07592357B2_0267grants
|
bd5affedea93e693f2ed743956797f1e44d13f5f4e5ec522655374a0
|
CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Cl.ClCCCl.O[C:11](=[O:12])[C:13]1=[C:14]([CH3:15])[NH:16][C:17](=[O:18])[CH2:19][CH:20]1[c:21]1[cH:22][cH:23][c:24]([Cl:25])[cH:26][c:27]1[F:28].[CH3:1][CH2:2][c:3]1[n:4][nH:5][c:6]2[cH:7][cH:8][c:9]([NH2:10])[cH:29][c:30]12
|
[CH3:1][CH2:2][c:3]1[n:4][nH:5][c:6]2[cH:7][cH:8][c:9]([NH:10][C:11](=[O:12])[C:13]3=[C:14]([CH3:15])[NH:16][C:17](=[O:18])[CH2:19][CH:20]3[c:21]3[cH:22][cH:23][c:24]([Cl:25])[cH:26][c:27]3[F:28])[cH:29][c:30]12
|
([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 |
CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Cl.ClCCCl
| 170 |
229 | 1,154 | 1,257 |
[C:1]1(=[O:16])[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([OH:15])=[O:14].O.[C:18]1(C)C=CC(S(O)(=O)=O)=C[CH:19]=1.C(=O)(O)[O-].[Na+].[Cl-].[Na+]>O.C1C=CC=CC=1.C(O)C>[C:1]1(=[O:16])[CH2:6][CH2:5][CH2:4][CH2:3][CH:2]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C:13]([O:15][CH2:18][CH3:19])=[O:14]
|
|f:1.2,3.4,5.6|
|
US03932479_
| 1,976 |
Cc1ccc(S(=O)(=O)O)cc1.O.O.O=C([O-])O.O[C:4](=[O:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C:17]1=[O:18].[CH3:1][CH2:2][OH:3].[Cl-].[Na+].[Na+].c1ccccc1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C:17]1=[O:18]
| 0.749778 |
CCO.Cc1ccc(S(=O)(=O)O)cc1~O.O.O=C(O)CCCCCCC1CCCCC1=O.O=C([O-])O~[Na+].[Cl-]~[Na+].c1ccccc1>>CCOC(=O)CCCCCCC1CCCCC1=O
|
CCO.Cc1ccc(S(=O)(=O)O)cc1.O.O.O=C(O)CCCCCCC1CCCCC1=O.O=C([O-])O.[Cl-].[Na+].[Na+].c1ccccc1>>CCOC(=O)CCCCCCC1CCCCC1=O
|
US03932479_grants
|
3ff55b85cf4e6e50d2c463be173001d185f7eea098a0b181a61bdb06
|
Cc1ccc(S(=O)(=O)O)cc1.O.O.O=C([O-])O.O[C:4](=[O:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C:17]1=[O:18].[CH3:1][CH2:2][OH:3].[Cl-].[Na+].[Na+].c1ccccc1
|
[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C:17]1=[O:18]
|
([C:4]-[O;H0;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]-[OH;D1;+0:5])
|
a6871142fd86a88cf89e8dce15586c0c2325bd32f2c5592778c4dcb1
| 1 | 1 |
Cc1ccc(S(=O)(=O)O)cc1.O.O.O=C([O-])O.[Cl-].[Na+].[Na+].c1ccccc1
| 17 |
248,030 | 823,718 | 1,365,009 |
[Br:1][C:2]1[C:7]([C:8]([OH:10])=[O:9])=[CH:6][N:5]=[CH:4][CH:3]=1.CO.[CH2:13](Cl)CCl>C(Cl)Cl.CN(C1C=CN=CC=1)C>[CH3:13][O:9][C:8](=[O:10])[C:7]1[C:2]([Br:1])=[CH:3][CH:4]=[N:5][CH:6]=1
| null |
US08530663B2_0217
| 2,013 |
CN(C)c1ccncc1.ClCCCl.ClCCl.O[CH3:1].[OH:2][C:3](=[O:4])[c:5]1[cH:6][n:7][cH:8][cH:9][c:10]1[Br:11]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7][cH:8][cH:9][c:10]1[Br:11]
| 0.665922 |
CN(C)c1ccncc1.CO.ClCCCl.ClCCl.O=C(O)c1cnccc1Br>>COC(=O)c1cnccc1Br
|
CN(C)c1ccncc1.CO.ClCCCl.ClCCl.O=C(O)c1cnccc1Br>>COC(=O)c1cnccc1Br
|
US08530663B2_0217grants
|
1727acf7039b9967a7b0b26475c6da1d40c4a47033d4245eac6655e6
|
CN(C)c1ccncc1.ClCCCl.ClCCl.O[CH3:1].[OH:2][C:3](=[O:4])[c:5]1[cH:6][n:7][cH:8][cH:9][c:10]1[Br:11]
|
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7][cH:8][cH:9][c:10]1[Br:11]
|
([CH3;D1;+0:1]-[O;H0;D2;+0:4]-[C:3]=[O;D1;H0:2])>>(O-[CH3;D1;+0:1]).([O;D1;H0:2]=[C:3]-[OH;D1;+0:4])
|
e189425e090fce77131c907ebf1468461240dd27d4457a40d701e43e
| 1 | 1 |
CN(C)c1ccncc1.ClCCCl.ClCCl
| 195 |
104,374 | 398,787 | 681,625 |
[CH3:1][C:2]([O:5][C:6](=[O:26])[NH:7][CH2:8][CH2:9][C@@H:10]([O:16][C:17]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:18]=1[C:24]#[N:25])[C:11]1[S:12][CH:13]=[CH:14][N:15]=1)([CH3:4])[CH3:3].[H-].[Na+].IC.[C:31](OCC)(=O)C>O1CCCC1.CCCC(C)C>[CH3:4][C:2]([O:5][C:6](=[O:26])[N:7]([CH2:8][CH2:9][C@@H:10]([O:16][C:17]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:18]=1[C:24]#[N:25])[C:11]1[S:12][CH:13]=[CH:14][N:15]=1)[CH3:31])([CH3:1])[CH3:3]
|
|f:1.2|
|
US06887871B2_0482
| 2,005 |
C1CCOC1.CCCC(C)C.CCOC(C)=O.I[CH3:1].[H-].[NH:2]([CH2:3][CH2:4][C@@H:5]([O:6][c:7]1[cH:8][c:9]([Cl:10])[cH:11][cH:12][c:13]1[C:14]#[N:15])[c:16]1[n:17][cH:18][cH:19][s:20]1)[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[Na+]>>[CH3:1][N:2]([CH2:3][CH2:4][C@@H:5]([O:6][c:7]1[cH:8][c:9]([Cl:10])[cH:11][cH:12][c:13]1[C:14]#[N:15])[c:16]1[n:17][cH:18][cH:19][s:20]1)[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]
| 0.362649 |
C1CCOC1.CC(C)(C)OC(=O)NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1nccs1.CCCC(C)C.CCOC(C)=O.CI.[H-]~[Na+]>>CN(CC[C@@H](Oc1cc(Cl)ccc1C#N)c1nccs1)C(=O)OC(C)(C)C
|
C1CCOC1.CC(C)(C)OC(=O)NCC[C@@H](Oc1cc(Cl)ccc1C#N)c1nccs1.CCCC(C)C.CCOC(C)=O.CI.[H-].[Na+]>>CN(CC[C@@H](Oc1cc(Cl)ccc1C#N)c1nccs1)C(=O)OC(C)(C)C
|
US06887871B2_0482grants
|
37c89df5d994d43c1a82728c2c18f5f11f1cb5094d4fcf9c8bef3c23
|
C1CCOC1.CCCC(C)C.CCOC(C)=O.I[CH3:1].[H-].[NH:2]([CH2:3][CH2:4][C@@H:5]([O:6][c:7]1[cH:8][c:9]([Cl:10])[cH:11][cH:12][c:13]1[C:14]#[N:15])[c:16]1[n:17][cH:18][cH:19][s:20]1)[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[Na+]
|
[CH3:1][N:2]([CH2:3][CH2:4][C@@H:5]([O:6][c:7]1[cH:8][c:9]([Cl:10])[cH:11][cH:12][c:13]1[C:14]#[N:15])[c:16]1[n:17][cH:18][cH:19][s:20]1)[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]
|
([C:2]-[N;H0;D3;+0:3](-[CH3;D1;+0:1])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7](-[C;D1;H3:8])(-[C;D1;H3:9])-[C;D1;H3:10])>>(I-[CH3;D1;+0:1]).([C:2]-[NH;D2;+0:3]-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7](-[C;D1;H3:8])(-[C;D1;H3:9])-[C;D1;H3:10])
|
602e17afce10b895bb09c87badb2604c3948c65a9a67f2f7a1e9169a
| 1 | 1 |
C1CCOC1.CCCC(C)C.CCOC(C)=O.[H-].[Na+]
| 803 |
211,650 | 714,042 | 1,175,470 |
[CH3:1][O:2][C:3]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH2:19][CH2:18][CH:17]([O:20][Si](C(C)(C)C)(C)C)[CH2:16][CH:15]=3)=[CH:11][CH:12]=2)[N:7]([CH3:28])[CH:6]=1)=[O:4].[N+](CCCC)(CCCC)(CCCC)CCCC.[F-]>C1COCC1>[CH3:1][O:2][C:3]([C:5]1[C:13]2[C:8](=[CH:9][C:10]([C:14]3[CH2:19][CH2:18][CH:17]([OH:20])[CH2:16][CH:15]=3)=[CH:11][CH:12]=2)[N:7]([CH3:28])[CH:6]=1)=[O:4]
|
|f:1.2|
|
US08153624B2_0162
| 2,012 |
C1CCOC1.CC(C)(C)[Si](C)(C)[O:16][CH:15]1[CH2:14][CH:13]=[C:12]([c:11]2[cH:10][c:9]3[n:7]([CH3:8])[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[c:21]3[cH:20][cH:19]2)[CH2:18][CH2:17]1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7]([CH3:8])[c:9]2[cH:10][c:11]([C:12]3=[CH:13][CH2:14][CH:15]([OH:16])[CH2:17][CH2:18]3)[cH:19][cH:20][c:21]12
| 0.968609 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC~[F-].COC(=O)c1cn(C)c2cc(C3=CCC(O[Si](C)(C)C(C)(C)C)CC3)ccc12>>COC(=O)c1cn(C)c2cc(C3=CCC(O)CC3)ccc12
|
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.COC(=O)c1cn(C)c2cc(C3=CCC(O[Si](C)(C)C(C)(C)C)CC3)ccc12.[F-]>>COC(=O)c1cn(C)c2cc(C3=CCC(O)CC3)ccc12
|
US08153624B2_0162grants
|
ce1540d641294bd2152d767c9cfbbc651eb39c90bbef8d7ce42fbe40
|
C1CCOC1.CC(C)(C)[Si](C)(C)[O:16][CH:15]1[CH2:14][CH:13]=[C:12]([c:11]2[cH:10][c:9]3[n:7]([CH3:8])[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[c:21]3[cH:20][cH:19]2)[CH2:18][CH2:17]1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]
|
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7]([CH3:8])[c:9]2[cH:10][c:11]([C:12]3=[CH:13][CH2:14][CH:15]([OH:16])[CH2:17][CH2:18]3)[cH:19][cH:20][c:21]12
|
([C:2]-[OH;D1;+0:1])>>(C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:1]-[C:2])
|
368b3f927702b41932c1075690d6eeba50254e115711ea09825c0c9c
| 1 | 1 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]
| 708 |
40,526 | 180,556 | 290,177 |
[N:1]1([CH2:7][CH2:8][CH2:9][CH2:10][N:11]2[CH:15]=[CH:14][CH:13]=[CH:12]2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.Cl[C:17]1[N:22]=[CH:21][CH:20]=[CH:19][N:18]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[N:18]1[CH:19]=[CH:20][CH:21]=[N:22][C:17]=1[N:4]1[CH2:3][CH2:2][N:1]([CH2:7][CH2:8][CH2:9][CH2:10][N:11]2[CH:15]=[CH:14][CH:13]=[CH:12]2)[CH2:6][CH2:5]1
|
|f:2.3.4|
|
US05292739_
| 1,994 |
CN(C)C=O.Cl[c:4]1[n:3][cH:2][cH:1][cH:21][n:20]1.O=C([O-])[O-].[K+].[K+].[NH:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][CH2:11][CH2:12][n:13]2[cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19]1>>[cH:1]1[cH:2][n:3][c:4]([N:5]2[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][CH2:11][CH2:12][n:13]3[cH:14][cH:15][cH:16][cH:17]3)[CH2:18][CH2:19]2)[n:20][cH:21]1
| 0.385804 |
CN(C)C=O.Clc1ncccn1.O=C([O-])[O-]~[K+]~[K+].c1ccn(CCCCN2CCNCC2)c1>>c1cnc(N2CCN(CCCCn3cccc3)CC2)nc1
|
CN(C)C=O.Clc1ncccn1.O=C([O-])[O-].[K+].[K+].c1ccn(CCCCN2CCNCC2)c1>>c1cnc(N2CCN(CCCCn3cccc3)CC2)nc1
|
US05292739_grants
|
f80a34be41bafe114a2ef31d4551f54689a406de218cf27c0cac30e4
|
CN(C)C=O.Cl[c:4]1[n:3][cH:2][cH:1][cH:21][n:20]1.O=C([O-])[O-].[K+].[K+].[NH:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][CH2:11][CH2:12][n:13]2[cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19]1
|
[cH:1]1[cH:2][n:3][c:4]([N:5]2[CH2:6][CH2:7][N:8]([CH2:9][CH2:10][CH2:11][CH2:12][n:13]3[cH:14][cH:15][cH:16][cH:17]3)[CH2:18][CH2:19]2)[n:20][cH:21]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
b57905a5bce8517a4e40b0e20794e889407f66a0ae3d7a09e7fbb00e
| 1 | 1 |
CN(C)C=O.O=C([O-])[O-].[K+].[K+]
| 36 |
184,125 | 637,696 | 1,054,631 |
C([O:3][C:4]([C@@H:6]1[CH2:10][C@@H:9]([S:11]([C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][C:15]=2[Cl:21])(=[O:13])=[O:12])[CH2:8][C@H:7]1[CH2:22][O:23][CH2:24][C:25]1[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=1)=O)C.[NH2:33][C:34]1([C:37]#[N:38])[CH2:36][CH2:35]1>>[C:37]([C:34]1([NH:33][C:4]([C@@H:6]2[CH2:10][C@@H:9]([S:11]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][C:15]=3[Cl:21])(=[O:13])=[O:12])[CH2:8][C@H:7]2[CH2:22][O:23][CH2:24][C:25]2[CH:26]=[CH:27][C:28]([O:31][CH3:32])=[CH:29][CH:30]=2)=[O:3])[CH2:36][CH2:35]1)#[N:38]
| null |
US07893099B2_0961
| 2,011 |
CCO[C:26]([C@H:25]1[C@H:10]([CH2:9][O:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:35][cH:34]2)[CH2:11][C@H:12]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][c:22]2[Cl:23])[CH2:24]1)=[O:27].[NH2:28][C:29]1([C:30]#[N:31])[CH2:32][CH2:33]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][CH2:9][C@@H:10]2[CH2:11][C@H:12]([S:13](=[O:14])(=[O:15])[c:16]3[cH:17][cH:18][c:19]([F:20])[cH:21][c:22]3[Cl:23])[CH2:24][C@H:25]2[C:26](=[O:27])[NH:28][C:29]2([C:30]#[N:31])[CH2:32][CH2:33]2)[cH:34][cH:35]1
| 0.457644 |
CCOC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1COCc1ccc(OC)cc1.N#CC1(N)CC1>>COc1ccc(COC[C@@H]2C[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C[C@H]2C(=O)NC2(C#N)CC2)cc1
|
CCOC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccc(F)cc2Cl)C[C@H]1COCc1ccc(OC)cc1.N#CC1(N)CC1>>COc1ccc(COC[C@@H]2C[C@H](S(=O)(=O)c3ccc(F)cc3Cl)C[C@H]2C(=O)NC2(C#N)CC2)cc1
|
US07893099B2_0961grants
|
65f84cbe0f77a0b2442ae9b6f6a0d1eed16696862351f0ca128c591b
|
CCO[C:26]([C@H:25]1[C@H:10]([CH2:9][O:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:35][cH:34]2)[CH2:11][C@H:12]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][c:22]2[Cl:23])[CH2:24]1)=[O:27].[NH2:28][C:29]1([C:30]#[N:31])[CH2:32][CH2:33]1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][CH2:9][C@@H:10]2[CH2:11][C@H:12]([S:13](=[O:14])(=[O:15])[c:16]3[cH:17][cH:18][c:19]([F:20])[cH:21][c:22]3[Cl:23])[CH2:24][C@H:25]2[C:26](=[O:27])[NH:28][C:29]2([C:30]#[N:31])[CH2:32][CH2:33]2)[cH:34][cH:35]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:5]-[C:4])>>(C-C-O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
|
9731dcd789df0a55995eab09da9719d520c439d74b195b7e7bb6c118
| 1 | 1 | null | 64 |
409,266 | 1,608,136 | null |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C@@H:13]3[CH2:14][CH2:15][CH2:16][CH2:17][C@H:12]3[N:11]([C:18]3[CH:26]=[CH:25][C:21]([C:22]([OH:24])=O)=[C:20]([F:27])[CH:19]=3)[C:10]2=[O:28])=[CH:5][C:4]=1[C:29]([F:32])([F:31])[F:30])#[N:2].[NH2:33][O:34][CH2:35][CH2:36][N:37]([CH2:40][CH3:41])[CH2:38][CH3:39]>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C@@H:13]3[CH2:14][CH2:15][CH2:16][CH2:17][C@H:12]3[N:11]([C:18]3[CH:26]=[CH:25][C:21]([C:22]([NH:33][O:34][CH2:35][CH2:36][N:37]([CH2:40][CH3:41])[CH2:38][CH3:39])=[O:24])=[C:20]([F:27])[CH:19]=3)[C:10]2=[O:28])=[CH:5][C:4]=1[C:29]([F:30])([F:31])[F:32])#[N:2]
| null |
US20140329858A1_0324
| 2,014 |
O[C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([N:16]2[C:17](=[O:18])[N:19]([c:20]3[cH:21][cH:22][c:23]([C:24]#[N:25])[c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]3)[C@@H:32]3[CH2:33][CH2:34][CH2:35][CH2:36][C@@H:37]23)[cH:38][c:39]1[F:40].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][O:8][NH2:9]>>[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([N:16]2[C:17](=[O:18])[N:19]([c:20]3[cH:21][cH:22][c:23]([C:24]#[N:25])[c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]3)[C@@H:32]3[CH2:33][CH2:34][CH2:35][CH2:36][C@@H:37]23)[cH:38][c:39]1[F:40]
| 0.251739 |
CCN(CC)CCON.N#Cc1ccc(N2C(=O)N(c3ccc(C(=O)O)c(F)c3)[C@@H]3CCCC[C@H]32)cc1C(F)(F)F>>CCN(CC)CCONC(=O)c1ccc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]3CCCC[C@H]32)cc1F
|
CCN(CC)CCON.N#Cc1ccc(N2C(=O)N(c3ccc(C(=O)O)c(F)c3)[C@@H]3CCCC[C@H]32)cc1C(F)(F)F>>CCN(CC)CCONC(=O)c1ccc(N2C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H]3CCCC[C@H]32)cc1F
|
US20140329858A1_0324apps
|
6dc6208ee2aa957e9a49a2b371c236013f4b0bf2d9b97c88720221b4
|
O[C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([N:16]2[C:17](=[O:18])[N:19]([c:20]3[cH:21][cH:22][c:23]([C:24]#[N:25])[c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]3)[C@@H:32]3[CH2:33][CH2:34][CH2:35][CH2:36][C@@H:37]23)[cH:38][c:39]1[F:40].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][O:8][NH2:9]
|
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH2:7][O:8][NH:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([N:16]2[C:17](=[O:18])[N:19]([c:20]3[cH:21][cH:22][c:23]([C:24]#[N:25])[c:26]([C:27]([F:28])([F:29])[F:30])[cH:31]3)[C@@H:32]3[CH2:33][CH2:34][CH2:35][CH2:36][C@@H:37]23)[cH:38][c:39]1[F:40]
|
([#8:4]-[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]).([#8:4]-[NH2;D1;+0:5])
|
f8a6e6d7b21c8e6492f58db3276042e510b8960f5e8ce3f4110c9fb4
| 1 | 1 | null | 741 |
313,495 | 1,018,969 | 1,725,146 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:12])[CH3:11])=[CH:5][CH:4]=1)[CH3:2].[N+:13]([O-])([OH:15])=[O:14].C(=O)([O-])[O-].[Na+].[Na+]>>[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:12])[CH3:11])=[CH:5][C:4]=1[N+:13]([O-:15])=[O:14])[CH3:2]
|
|f:2.3.4|
|
US09255110B2_0695
| 2,016 |
O=C([O-])[O-].O[N+:13](=[O:14])[O-:15].[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][C:8]([CH3:9])=[O:10])[cH:11][cH:12]1.[Na+].[Na+]>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][C:8]([CH3:9])=[O:10])[cH:11][c:12]1[N+:13](=[O:14])[O-:15]
| 0.571569 |
CCc1ccc(NC(C)=O)cc1.O=C([O-])[O-]~[Na+]~[Na+].O=[N+]([O-])O>>CCc1ccc(NC(C)=O)cc1[N+](=O)[O-]
|
CCc1ccc(NC(C)=O)cc1.O=C([O-])[O-].O=[N+]([O-])O.[Na+].[Na+]>>CCc1ccc(NC(C)=O)cc1[N+](=O)[O-]
|
US09255110B2_0695grants
|
ec8e62de6fcd20bcbb8ab99c6ce5e79bf85014b0439c6e10a6460cc5
|
O=C([O-])[O-].O[N+:13](=[O:14])[O-:15].[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][C:8]([CH3:9])=[O:10])[cH:11][cH:12]1.[Na+].[Na+]
|
[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([NH:7][C:8]([CH3:9])=[O:10])[cH:11][c:12]1[N+:13](=[O:14])[O-:15]
|
([O;-;D1;H0:2]-[N+;H0;D3:1](=[O;D1;H0:3])-[c;H0;D3;+0:5](:[c:4]):[c:6])>>(O-[N+;H0;D3:1](-[O;-;D1;H0:2])=[O;D1;H0:3]).([c:4]:[cH;D2;+0:5]:[c:6])
|
c25d51e5af868cef93abbb502e1d42ba1564ccc8abe5e0e442b85ea3
| 1 | 1 |
O=C([O-])[O-].[Na+].[Na+]
| 21 |
396,716 | 1,295,561 | null |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:8]=[CH:7][C:6]([NH:9][NH2:10])=[CH:5][CH:4]=1.[OH:13][C:14]1[CH:21]=[C:20]([OH:22])[CH:19]=[CH:18][C:15]=1[CH:16]=O>>[F:1][C:2]([F:11])([F:12])[C:3]1[CH:4]=[CH:5][C:6]([NH:9][N:10]=[CH:16][C:15]2[CH:18]=[CH:19][C:20]([OH:22])=[CH:21][C:14]=2[OH:13])=[CH:7][CH:8]=1
| null |
US20120282629A1_0215
| 2,012 |
O=[CH:6][c:5]1[cH:4][cH:3][c:2]([OH:1])[cH:21][c:19]1[OH:20].[NH2:7][NH:8][c:9]1[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]1>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[N:7][NH:8][c:9]2[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19]([OH:20])[cH:21]1
| 0.2762 |
NNc1ccc(C(F)(F)F)cc1.O=Cc1ccc(O)cc1O>>Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)c(O)c1
|
NNc1ccc(C(F)(F)F)cc1.O=Cc1ccc(O)cc1O>>Oc1ccc(C=NNc2ccc(C(F)(F)F)cc2)c(O)c1
|
US20120282629A1_0215apps
|
ee2d5e1662d3ad429938b61b063d9c46a9065c73538911ad549118ca
|
O=[CH:6][c:5]1[cH:4][cH:3][c:2]([OH:1])[cH:21][c:19]1[OH:20].[NH2:7][NH:8][c:9]1[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]1
|
[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[N:7][NH:8][c:9]2[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19]([OH:20])[cH:21]1
|
([#7:3]-[N;H0;D2;+0:4]=[CH;D2;+0:1]-[c:2])>>(O=[CH;D2;+0:1]-[c:2]).([#7:3]-[NH2;D1;+0:4])
|
aae92ba7e262674a80e372a2ebb79e5e3bc9db1ab3eeca31519ad2b4
| 1 | 1 | null | 167 |
367,612 | 725,661 | null |
[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[C@H:10]([CH2:21][CH2:22][OH:23])[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].Br[CH2:27][CH:28]1[CH2:30][CH2:29]1>CN(C=O)C>[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:15])[C@H:10]([CH2:21][CH2:22][O:23][CH2:27][CH:28]2[CH2:30][CH2:29]2)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
|
|f:1.2|
|
US20090156612A1_1711
| 2,009 |
Br[CH2:24][CH:25]1[CH2:26][CH2:27]1.CN(C)C=O.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][C@H:20]1[CH2:21][CH2:22][OH:23].[H-].[Na+]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][C@H:20]1[CH2:21][CH2:22][O:23][CH2:24][CH:25]1[CH2:26][CH2:27]1
| 0.407156 |
BrCC1CC1.CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CCO.CN(C)C=O.[H-]~[Na+]>>CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CCOCC1CC1
|
BrCC1CC1.CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CCO.CN(C)C=O.[H-].[Na+]>>CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1CCOCC1CC1
|
US20090156612A1_1711apps
|
a016645e7eea844ec1ea70a03d0026d6ecf6062cf60116f629768460
|
Br[CH2:24][CH:25]1[CH2:26][CH2:27]1.CN(C)C=O.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][C@H:20]1[CH2:21][CH2:22][OH:23].[H-].[Na+]
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][C@H:20]1[CH2:21][CH2:22][O:23][CH2:24][CH:25]1[CH2:26][CH2:27]1
|
([C:3]-[O;H0;D2;+0:4]-[CH2;D2;+0:1]-[C:2])>>(Br-[CH2;D2;+0:1]-[C:2]).([C:3]-[OH;D1;+0:4])
|
a4c3d230363503c3cdd0e8b3bb15c888472ef0fddbf2cfc06e03712b
| 0.5 | 2 |
CN(C)C=O.[H-].[Na+]
| 95 |
401,109 | 1,401,813 | null |
[CH3:1][C:2](C)([O-:4])C.[K+].C1COCC1.C(O)C.[CH3:15][C@H:16]1[CH2:21][NH:20][C@H:19]([CH3:22])[CH2:18][N:17]1[C:23]1[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[C:25](F)[CH:24]=1>O.C(OCC)(=O)C>[CH3:15][C@H:16]1[CH2:21][NH:20][C@H:19]([CH3:22])[CH2:18][N:17]1[C:23]1[CH:30]=[CH:29][C:26]([C:27]#[N:28])=[C:25]([O:4][CH2:2][CH3:1])[CH:24]=1
|
|f:0.1|
|
US20130197009A1_0141
| 2,013 |
C1CCOC1.CC(C)(C)[O-].CCOC(C)=O.F[c:4]1[cH:5][c:6]([N:7]2[CH2:8][C@@H:9]([CH3:10])[NH:11][CH2:12][C@@H:13]2[CH3:14])[cH:15][cH:16][c:17]1[C:18]#[N:19].O.[CH3:1][CH2:2][OH:3].[K+]>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]([N:7]2[CH2:8][C@@H:9]([CH3:10])[NH:11][CH2:12][C@@H:13]2[CH3:14])[cH:15][cH:16][c:17]1[C:18]#[N:19]
| 0.936152 |
C1CCOC1.CC(C)(C)[O-]~[K+].CCO.CCOC(C)=O.C[C@@H]1CN(c2ccc(C#N)c(F)c2)[C@@H](C)CN1.O>>CCOc1cc(N2C[C@@H](C)NC[C@@H]2C)ccc1C#N
|
C1CCOC1.CC(C)(C)[O-].CCO.CCOC(C)=O.C[C@@H]1CN(c2ccc(C#N)c(F)c2)[C@@H](C)CN1.O.[K+]>>CCOc1cc(N2C[C@@H](C)NC[C@@H]2C)ccc1C#N
|
US20130197009A1_0141apps
|
edc9666dcf01390ad9e4ff2f1d1074ee95db624cacfec03fadb0c40b
|
C1CCOC1.CC(C)(C)[O-].CCOC(C)=O.F[c:4]1[cH:5][c:6]([N:7]2[CH2:8][C@@H:9]([CH3:10])[NH:11][CH2:12][C@@H:13]2[CH3:14])[cH:15][cH:16][c:17]1[C:18]#[N:19].O.[CH3:1][CH2:2][OH:3].[K+]
|
[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]([N:7]2[CH2:8][C@@H:9]([CH3:10])[NH:11][CH2:12][C@@H:13]2[CH3:14])[cH:15][cH:16][c:17]1[C:18]#[N:19]
|
([C:4]-[O;H0;D2;+0:5]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(F-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[OH;D1;+0:5])
|
5e910f78c09147f95443e74bed5b26e7557d68f73dba61bcb03d2b4e
| 1 | 1 |
C1CCOC1.CC(C)(C)[O-].CCOC(C)=O.O.[K+]
| 485 |
195,297 | 669,615 | 1,107,092 |
Cl[C:2]1[N:7]=[C:6]([Cl:8])[N:5]=[C:4]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[N:3]=1.[NH2:15][CH3:16].[OH-].[Na+]>CC#N.O>[Cl:8][C:6]1[N:5]=[C:4]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[N:3]=[C:2]([NH:15][CH3:16])[N:7]=1
|
|f:2.3|
|
US08008483B2_0458
| 2,011 |
CC#N.Cl[c:3]1[n:4][c:5]([Cl:6])[n:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1.O.[CH3:1][NH2:2].[Na+].[OH-]>>[CH3:1][NH:2][c:3]1[n:4][c:5]([Cl:6])[n:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1
| 0.648272 |
CC#N.CN.Clc1nc(Cl)nc(-c2ccccc2)n1.O.[Na+]~[OH-]>>CNc1nc(Cl)nc(-c2ccccc2)n1
|
CC#N.CN.Clc1nc(Cl)nc(-c2ccccc2)n1.O.[Na+].[OH-]>>CNc1nc(Cl)nc(-c2ccccc2)n1
|
US08008483B2_0458grants
|
2c1f36d12816179fa662aeabfe64b897f808115500fa3b3d8a1a7155
|
CC#N.Cl[c:3]1[n:4][c:5]([Cl:6])[n:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1.O.[CH3:1][NH2:2].[Na+].[OH-]
|
[CH3:1][NH:2][c:3]1[n:4][c:5]([Cl:6])[n:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3]:[c:4]:[#7;a:5])-[NH;D2;+0:7]-[C;D1;H3:6])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]:[c:4]:[#7;a:5]).([C;D1;H3:6]-[NH2;D1;+0:7])
|
0b588855c6f0ec8e6e2a3fd38e0eeb9f125fc40378b70cf60a109be1
| 1 | 1 |
CC#N.O.[Na+].[OH-]
| 578 |
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