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
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
436,015 | 1,881,519 | null |
[OH:1][C@@H:2]1[C@@H:7]([NH:8][CH3:9])[CH2:6][CH2:5][CH2:4][C@@H:3]1[NH:10][C:11](=[O:20])[O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[CH3:33][C:32]([O:31][C:29](O[C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])=[O:30])([CH3:35])[CH3:34]>C(Cl)Cl>[C:32]([O:31][C:29]([N:8]([CH3:9])[C@H:7]1[CH2:6][CH2:5][CH2:4][C@H:3]([NH:10][C:11](=[O:20])[O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C@@H:2]1[OH:1])=[O:30])([CH3:33])([CH3:34])[CH3:35]
| null |
US20160145252A1_0300
| 2,016 |
CC(C)(C)OC(=O)O[C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].ClCCl.[CH3:1][NH:2][C@H:10]1[CH2:11][CH2:12][CH2:13][C@H:14]([NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C@@H:26]1[OH:27]>>[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C@H:10]1[CH2:11][CH2:12][CH2:13][C@H:14]([NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C@@H:26]1[OH:27]
| 0.214202 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)[C@@H]1O.ClCCl>>CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)[C@@H]1O
|
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CN[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)[C@@H]1O.ClCCl>>CN(C(=O)OC(C)(C)C)[C@H]1CCC[C@H](NC(=O)OCc2ccccc2)[C@@H]1O
|
US20160145252A1_0300apps
|
235248b053a9be108aca43195d3c3c71413804dd4a02fb88d5733724
|
CC(C)(C)OC(=O)O[C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].ClCCl.[CH3:1][NH:2][C@H:10]1[CH2:11][CH2:12][CH2:13][C@H:14]([NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C@@H:26]1[OH:27]
|
[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C@H:10]1[CH2:11][CH2:12][CH2:13][C@H:14]([NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C@@H:26]1[OH:27]
|
([C:8]-[N;H0;D3;+0:9](-[C;D1;H3:10])-[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])>>(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]).([C:8]-[NH;D2;+0:9]-[C;D1;H3:10])
|
4adaee2f919129a728a81156383c0a0b04988e7bc84e82c9b95523a9
| 1 | 1 |
ClCCl
| 694 |
164,046 | 577,750 | 962,034 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[N:9]1[C:14]2[N:15]=[C:16](S(C)=O)[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:28]=[CH:29][C:30]=3[CH3:31])[C:22]([NH:24][CH2:25][CH2:26][CH3:27])=[O:23])[C:13]=2[CH2:12][NH:11][C:10]1=[O:35].[CH2:36]([N:40]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:41][CH2:42][CH2:43][NH2:44])[CH2:37][CH2:38][CH3:39]>C(Cl)Cl>[CH2:36]([N:40]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:41][CH2:42][CH2:43][NH:44][C:16]1[N:17]=[C:18]([C:19]2[CH:20]=[C:21]([CH:28]=[CH:29][C:30]=2[CH3:31])[C:22]([NH:24][CH2:25][CH2:26][CH3:27])=[O:23])[C:13]2[CH2:12][NH:11][C:10](=[O:35])[N:9]([C:3]3[C:2]([F:1])=[CH:7][CH:6]=[CH:5][C:4]=3[F:8])[C:14]=2[N:15]=1)[CH2:37][CH2:38][CH3:39]
| null |
US07674789B2_1204
| 2,010 |
CS(=O)[c:14]1[n:15][c:16](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH3:25])[cH:26][cH:27][c:28]2[CH3:29])[c:30]2[c:31]([n:32]1)[N:33]([c:34]1[c:35]([F:36])[cH:37][cH:38][cH:39][c:40]1[F:41])[C:42](=[O:43])[NH:44][CH2:45]2.ClCCl.[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][NH2:13]>>[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][NH:13][c:14]1[n:15][c:16](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH3:25])[cH:26][cH:27][c:28]2[CH3:29])[c:30]2[c:31]([n:32]1)[N:33]([c:34]1[c:35]([F:36])[cH:37][cH:38][cH:39][c:40]1[F:41])[C:42](=[O:43])[NH:44][CH2:45]2
| 0.695024 |
CCCCN(CCCC)CCCN.CCCNC(=O)c1ccc(C)c(-c2nc(S(C)=O)nc3c2CNC(=O)N3c2c(F)cccc2F)c1.ClCCl>>CCCCN(CCCC)CCCNc1nc(-c2cc(C(=O)NCCC)ccc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)NC2
|
CCCCN(CCCC)CCCN.CCCNC(=O)c1ccc(C)c(-c2nc(S(C)=O)nc3c2CNC(=O)N3c2c(F)cccc2F)c1.ClCCl>>CCCCN(CCCC)CCCNc1nc(-c2cc(C(=O)NCCC)ccc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)NC2
|
US07674789B2_1204grants
|
1260d31f7a3aae1800be76da818a731475d916d293b2459ca0cef239
|
CS(=O)[c:14]1[n:15][c:16](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH3:25])[cH:26][cH:27][c:28]2[CH3:29])[c:30]2[c:31]([n:32]1)[N:33]([c:34]1[c:35]([F:36])[cH:37][cH:38][cH:39][c:40]1[F:41])[C:42](=[O:43])[NH:44][CH2:45]2.ClCCl.[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][NH2:13]
|
[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][NH:13][c:14]1[n:15][c:16](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[NH:22][CH2:23][CH2:24][CH3:25])[cH:26][cH:27][c:28]2[CH3:29])[c:30]2[c:31]([n:32]1)[N:33]([c:34]1[c:35]([F:36])[cH:37][cH:38][cH:39][c:40]1[F:41])[C:42](=[O:43])[NH:44][CH2:45]2
|
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[NH;D2;+0:5]-[C:4])>>(C-S(=O)-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]).([C:4]-[NH2;D1;+0:5])
|
62f07bf2f2120cd6159c486f7cb4358053b0b82a6689e7800640fbde
| 1 | 1 |
ClCCl
| 666 |
243,469 | 810,406 | 1,342,281 |
[NH2:1][C:2]([CH3:7])([CH3:6])[C:3]([OH:5])=[O:4].S(Cl)(Cl)=O.[CH2:12](O)[CH3:13]>>[CH2:12]([O:4][C:3](=[O:5])[C:2]([NH2:1])([CH3:7])[CH3:6])[CH3:13]
| null |
US08486962B2_0519
| 2,013 |
O=S(Cl)Cl.O[C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[NH2:9].[CH3:1][CH2:2][OH:3]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[NH2:9]
| 0.512602 |
CC(C)(N)C(=O)O.CCO.O=S(Cl)Cl>>CCOC(=O)C(C)(C)N
|
CC(C)(N)C(=O)O.CCO.O=S(Cl)Cl>>CCOC(=O)C(C)(C)N
|
US08486962B2_0519grants
|
078bf73368455b3591c8f330fbb032c0bf46778637e28cc2dafe40f5
|
O=S(Cl)Cl.O[C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[NH2:9].[CH3:1][CH2:2][OH:3]
|
[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[NH2:9]
|
([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 |
O=S(Cl)Cl
| 17 |
363,498 | 665,071 | null |
[C:1]([C:4]1[C:22](=[O:23])[C@@:8]2([CH3:24])[C:9]3[C:15]([OH:16])=[CH:14][C:13]([O:17][CH3:18])=[C:12]([C:19]([NH2:21])=[O:20])[C:10]=3[O:11][C:7]2=[CH:6][C:5]=1[OH:25])(=[O:3])[CH3:2].[CH:26]([C:28]1[C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[CH:31]=[C:30](/[CH:38]=[CH:39]/[C:40]([O:42][CH3:43])=[O:41])[CH:29]=1)=O.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>C(#N)C>[C:1]([C:4]1[C:22](=[O:23])[C@@:8]2([CH3:24])[C:9]3[C:15]([OH:16])=[CH:14][C:13]([O:17][CH3:18])=[C:12]([C:19]([NH:21][CH2:26][C:28]4[C:37]5[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=5)[CH:31]=[C:30](/[CH:38]=[CH:39]/[C:40]([O:42][CH3:43])=[O:41])[CH:29]=4)=[O:20])[C:10]=3[O:11][C:7]2=[CH:6][C:5]=1[OH:25])(=[O:3])[CH3:2]
| null |
US20090036492A1_1188
| 2,009 |
CC#N.CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=[CH:10][c:9]1[cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:42][c:41]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2.[NH2:11][C:12](=[O:13])[c:14]1[c:15]([O:16][CH3:17])[cH:18][c:19]([OH:20])[c:21]2[c:22]1[O:23][C:24]1=[CH:25][C:26]([OH:27])=[C:28]([C:29]([CH3:30])=[O:31])[C:32](=[O:33])[C@@:34]21[CH3:35]>>[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][c:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]([O:16][CH3:17])[cH:18][c:19]([OH:20])[c:21]3[c:22]2[O:23][C:24]2=[CH:25][C:26]([OH:27])=[C:28]([C:29]([CH3:30])=[O:31])[C:32](=[O:33])[C@@:34]32[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[cH:42]1
| 0.934479 |
CC#N.CC[SiH](CC)CC.COC(=O)/C=C/c1cc(C=O)c2ccccc2c1.COc1cc(O)c2c(c1C(N)=O)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C.O=C(O)C(F)(F)F>>COC(=O)/C=C/c1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
CC#N.CC[SiH](CC)CC.COC(=O)/C=C/c1cc(C=O)c2ccccc2c1.COc1cc(O)c2c(c1C(N)=O)OC1=CC(O)=C(C(C)=O)C(=O)[C@]12C.O=C(O)C(F)(F)F>>COC(=O)/C=C/c1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(O)=C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
US20090036492A1_1188apps
|
cfe39cb4606b1802d120f5635bae9dfff0b87f17c5a5036600e86674
|
CC#N.CC[SiH](CC)CC.O=C(O)C(F)(F)F.O=[CH:10][c:9]1[cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:42][c:41]2[c:36]1[cH:37][cH:38][cH:39][cH:40]2.[NH2:11][C:12](=[O:13])[c:14]1[c:15]([O:16][CH3:17])[cH:18][c:19]([OH:20])[c:21]2[c:22]1[O:23][C:24]1=[CH:25][C:26]([OH:27])=[C:28]([C:29]([CH3:30])=[O:31])[C:32](=[O:33])[C@@:34]21[CH3:35]
|
[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][c:9]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]([O:16][CH3:17])[cH:18][c:19]([OH:20])[c:21]3[c:22]2[O:23][C:24]2=[CH:25][C:26]([OH:27])=[C:28]([C:29]([CH3:30])=[O:31])[C:32](=[O:33])[C@@:34]32[CH3:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]2[cH:42]1
|
([O;D1;H0:5]=[C:4](-[NH;D2;+0:3]-[CH2;D2;+0:1]-[c:2])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)>>(O=[CH;D2;+0:1]-[c:2]).([NH2;D1;+0:3]-[C:4](=[O;D1;H0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)
|
2c6974bb3e5bef9f91f5f6b0c4a545caf19c5d5581e06731db73f030
| 1 | 1 |
CC#N.CC[SiH](CC)CC.O=C(O)C(F)(F)F
| 996 |
225,336 | 755,480 | 1,244,569 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[C:10]([CH2:19][O:20][C:21]3[CH:26]=[CH:25][C:24]([CH2:27][CH:28]([CH3:34])[C:29]([O:31]CC)=[O:30])=[CH:23][CH:22]=3)[C:11]3[O:15][C:14]([CH3:17])([CH3:16])[CH2:13][C:12]=3[CH:18]=2)=[CH:4][CH:3]=1.CO.[OH-].[Li+].Cl>O1CCCC1.CCOC(C)=O.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:9]=[C:10]([CH2:19][O:20][C:21]3[CH:22]=[CH:23][C:24]([CH2:27][CH:28]([CH3:34])[C:29]([OH:31])=[O:30])=[CH:25][CH:26]=3)[C:11]3[O:15][C:14]([CH3:17])([CH3:16])[CH2:13][C:12]=3[CH:18]=2)=[CH:6][CH:7]=1
|
|f:2.3|
|
US08299117B2_1062
| 2,012 |
C1CCOC1.CCOC(C)=O.CC[O:32][C:30]([CH:2]([CH3:1])[CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]3)[cH:20][c:21]3[c:22]2[O:23][C:24]([CH3:25])([CH3:26])[CH2:27]3)[cH:28][cH:29]1)=[O:31].CO.Cl.O.[Li+].[OH-]>>[CH3:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]3)[cH:20][c:21]3[c:22]2[O:23][C:24]([CH3:25])([CH3:26])[CH2:27]3)[cH:28][cH:29]1)[C:30](=[O:31])[OH:32]
| 0.541621 |
C1CCOC1.CCOC(=O)C(C)Cc1ccc(OCc2cc(-c3ccc(Cl)cc3)cc3c2OC(C)(C)C3)cc1.CCOC(C)=O.CO.Cl.O.[Li+]~[OH-]>>CC(Cc1ccc(OCc2cc(-c3ccc(Cl)cc3)cc3c2OC(C)(C)C3)cc1)C(=O)O
|
C1CCOC1.CCOC(=O)C(C)Cc1ccc(OCc2cc(-c3ccc(Cl)cc3)cc3c2OC(C)(C)C3)cc1.CCOC(C)=O.CO.Cl.O.[Li+].[OH-]>>CC(Cc1ccc(OCc2cc(-c3ccc(Cl)cc3)cc3c2OC(C)(C)C3)cc1)C(=O)O
|
US08299117B2_1062grants
|
8950815a57086514212a15cdeac69f6cdc0b7d9965f6d85001ea8be8
|
C1CCOC1.CCOC(C)=O.CC[O:32][C:30]([CH:2]([CH3:1])[CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]3)[cH:20][c:21]3[c:22]2[O:23][C:24]([CH3:25])([CH3:26])[CH2:27]3)[cH:28][cH:29]1)=[O:31].CO.Cl.O.[Li+].[OH-]
|
[CH3:1][CH:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][c:12](-[c:13]3[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]3)[cH:20][c:21]3[c:22]2[O:23][C:24]([CH3:25])([CH3:26])[CH2:27]3)[cH:28][cH:29]1)[C:30](=[O:31])[OH:32]
|
([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.CCOC(C)=O.CO.Cl.O.[Li+].[OH-]
| 7 |
158,653 | 562,678 | 938,877 |
[CH3:1][C:2]1[N:11]=[C:10]([N:12]([C:14]2[CH:19]=[CH:18][C:17]([N+:20]([O-])=O)=[CH:16][CH:15]=2)[CH3:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1>C(OCC)(=O)C.[Pd]>[NH2:20][C:17]1[CH:18]=[CH:19][C:14]([N:12]([C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=[C:2]([CH3:1])[N:11]=2)[CH3:13])=[CH:15][CH:16]=1
| null |
US07618975B2_1555
| 2,009 |
CCOC(C)=O.O=[N+:11]([O-])[c:10]1[cH:9][cH:8][c:7]([N:5]([c:4]2[n:3][c:2]([CH3:1])[n:20][c:19]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH3:6])[cH:13][cH:12]1.[Pd]>>[CH3:1][c:2]1[n:3][c:4]([N:5]([CH3:6])[c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[n:20]1
| 0.9607 |
CCOC(C)=O.Cc1nc(N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1.[Pd]>>Cc1nc(N(C)c2ccc(N)cc2)c2ccccc2n1
|
CCOC(C)=O.Cc1nc(N(C)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1.[Pd]>>Cc1nc(N(C)c2ccc(N)cc2)c2ccccc2n1
|
US07618975B2_1555grants
|
41aa3068b71c8f96177c4be7bd7d3acb10c6df17ec7f77dbbaba86f8
|
CCOC(C)=O.O=[N+:11]([O-])[c:10]1[cH:9][cH:8][c:7]([N:5]([c:4]2[n:3][c:2]([CH3:1])[n:20][c:19]3[c:14]2[cH:15][cH:16][cH:17][cH:18]3)[CH3:6])[cH:13][cH:12]1.[Pd]
|
[CH3:1][c:2]1[n:3][c:4]([N:5]([CH3:6])[c:7]2[cH:8][cH:9][c:10]([NH2:11])[cH:12][cH:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[n:20]1
|
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
|
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
| 1 | 1 |
CCOC(C)=O.[Pd]
| 1 |
106,962 | 406,677 | 694,437 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][NH2:11].[N:12]([C:15]1[CH:23]=[CH:22][CH:21]=[C:20]2[C:16]=1[CH:17]=[CH:18][NH:19]2)=[C:13]=[O:14]>>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][NH:11][C:13]([NH:12][C:15]1[CH:23]=[CH:22][CH:21]=[C:20]2[C:16]=1[CH:17]=[CH:18][NH:19]2)=[O:14]
| null |
US06933311B2_0355
| 2,005 |
[NH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([Cl:10])[cH:11][c:12]1[Cl:13].[O:1]=[C:2]=[N:14][c:15]1[cH:16][cH:17][cH:18][c:19]2[nH:20][cH:21][cH:22][c:23]12>>[O:1]=[C:2]([NH:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([Cl:10])[cH:11][c:12]1[Cl:13])[NH:14][c:15]1[cH:16][cH:17][cH:18][c:19]2[nH:20][cH:21][cH:22][c:23]12
| 0.988304 |
NCCc1ccc(Cl)cc1Cl.O=C=Nc1cccc2[nH]ccc12>>O=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc2[nH]ccc12
|
NCCc1ccc(Cl)cc1Cl.O=C=Nc1cccc2[nH]ccc12>>O=C(NCCc1ccc(Cl)cc1Cl)Nc1cccc2[nH]ccc12
|
US06933311B2_0355grants
|
7d86b584ba24c448532fd936db96cb3d67810a2fa37830aa0f0cd8a3
|
[NH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([Cl:10])[cH:11][c:12]1[Cl:13].[O:1]=[C:2]=[N:14][c:15]1[cH:16][cH:17][cH:18][c:19]2[nH:20][cH:21][cH:22][c:23]12
|
[O:1]=[C:2]([NH:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][c:9]([Cl:10])[cH:11][c:12]1[Cl:13])[NH:14][c:15]1[cH:16][cH:17][cH:18][c:19]2[nH:20][cH:21][cH:22][c:23]12
|
([C:1]-[NH;D2;+0:2]-[C;H0;D3;+0:4](=[O;D1;H0:3])-[NH;D2;+0:5]-[c:6])>>([C:1]-[NH2;D1;+0:2]).([O;D1;H0:3]=[C;H0;D2;+0:4]=[N;H0;D2;+0:5]-[c:6])
|
903dcfe32837886584264b39727a7d8d02d4dc88756525a4eb4912fd
| 1 | 1 | null | 35 |
100,249 | 385,631 | 659,050 |
[OH:1][C:2]1[C:3]([C:8]([NH:10][CH2:11][C:12]([O:14]C)=O)=[O:9])=[N:4][CH:5]=[CH:6][N:7]=1.[NH3:16].Cl>CO.O>[NH2:16][C:12](=[O:14])[CH2:11][NH:10][C:8]([C:3]1[C:2]([OH:1])=[N:7][CH:6]=[CH:5][N:4]=1)=[O:9]
| null |
US06787544B2_
| 2,004 |
CO.CO[C:2](=[O:3])[CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][cH:10][cH:11][n:12][c:13]1[OH:14].Cl.O.[NH3:1]>>[NH2:1][C:2](=[O:3])[CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][cH:10][cH:11][n:12][c:13]1[OH:14]
| 0.977416 |
CO.COC(=O)CNC(=O)c1nccnc1O.Cl.N.O>>NC(=O)CNC(=O)c1nccnc1O
|
CO.COC(=O)CNC(=O)c1nccnc1O.Cl.N.O>>NC(=O)CNC(=O)c1nccnc1O
|
US06787544B2_grants
|
cfe70b080aed0508a6245c46a9014bc0ab02249c0e07b3180a1fd7bb
|
CO.CO[C:2](=[O:3])[CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][cH:10][cH:11][n:12][c:13]1[OH:14].Cl.O.[NH3:1]
|
[NH2:1][C:2](=[O:3])[CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][cH:10][cH:11][n:12][c:13]1[OH:14]
|
([C:2]-[C;H0;D3;+0:1](-[NH2;D1;+0:4])=[O;D1;H0:3])>>(C-O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([NH3;D0;+0:4])
|
32b2d076d42f6c5d0d9e42aaee8ea11f9f6bde1dfbde54d0a3f692c3
| 1 | 1 |
CO.Cl.O
| 432 |
172,497 | 603,791 | 1,000,845 |
[F:1][C:2]1[CH:13]=[C:12]([C:14]2[CH:15]=[N:16][C:17]3[N:18]([C:20]([C:23]4([C:26]5[CH:27]=[C:28]6[C:33](=[CH:34][CH:35]=5)[N:32]=[CH:31][CH:30]=[CH:29]6)[CH2:25][CH2:24]4)=[CH:21][N:22]=3)[CH:19]=2)[CH:11]=[CH:10][C:3]=1[O:4][CH:5]([CH3:9])[C:6]([OH:8])=O.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=[CH:49][CH:50]=[CH:51][C:46]=2[N:45]=N1.N1CCCC1.C(N(CC)C(C)C)(C)C>CN(C)C=O>[F:1][C:2]1[CH:13]=[C:12]([C:14]2[CH:15]=[N:16][C:17]3[N:18]([C:20]([C:23]4([C:26]5[CH:27]=[C:28]6[C:33](=[CH:34][CH:35]=5)[N:32]=[CH:31][CH:30]=[CH:29]6)[CH2:25][CH2:24]4)=[CH:21][N:22]=3)[CH:19]=2)[CH:11]=[CH:10][C:3]=1[O:4][CH:5]([CH3:9])[C:6](=[O:8])[N:45]1[CH2:46][CH2:51][CH2:50][CH2:49]1
|
|f:1.2|
|
US07767675B2_0370
| 2,010 |
CCN(C(C)C)C(C)C.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F.O[C:33]([CH:2]([CH3:1])[O:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][n:10][c:11]3[n:12][cH:13][c:14]([C:15]4([c:16]5[cH:17][cH:18][c:19]6[n:20][cH:21][cH:22][cH:23][c:24]6[cH:25]5)[CH2:26][CH2:27]4)[n:28]3[cH:29]2)[cH:30][c:31]1[F:32])=[O:34].[NH:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1>>[CH3:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][n:10][c:11]3[n:12][cH:13][c:14]([C:15]4([c:16]5[cH:17][cH:18][c:19]6[n:20][cH:21][cH:22][cH:23][c:24]6[cH:25]5)[CH2:26][CH2:27]4)[n:28]3[cH:29]2)[cH:30][c:31]1[F:32])[C:33](=[O:34])[N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1
| 0.654452 |
C1CCNC1.CC(Oc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F)C(=O)O.CCN(C(C)C)C(C)C.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C~F[P-](F)(F)(F)(F)F>>CC(Oc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F)C(=O)N1CCCC1
|
C1CCNC1.CC(Oc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F)C(=O)O.CCN(C(C)C)C(C)C.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F>>CC(Oc1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F)C(=O)N1CCCC1
|
US07767675B2_0370grants
|
e0cc615b4f53e3aa54f7979d46c4f248cccf06e81ea8669ab1025e9a
|
CCN(C(C)C)C(C)C.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F.O[C:33]([CH:2]([CH3:1])[O:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][n:10][c:11]3[n:12][cH:13][c:14]([C:15]4([c:16]5[cH:17][cH:18][c:19]6[n:20][cH:21][cH:22][cH:23][c:24]6[cH:25]5)[CH2:26][CH2:27]4)[n:28]3[cH:29]2)[cH:30][c:31]1[F:32])=[O:34].[NH:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1
|
[CH3:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][n:10][c:11]3[n:12][cH:13][c:14]([C:15]4([c:16]5[cH:17][cH:18][c:19]6[n:20][cH:21][cH:22][cH:23][c:24]6[cH:25]5)[CH2:26][CH2:27]4)[n:28]3[cH:29]2)[cH:30][c:31]1[F:32])[C:33](=[O:34])[N:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
0f35e4698af78868189072042f755bea621b23e196ec3dd2372ca253
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F
| 146 |
377,674 | 892,186 | null |
Br[C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.[CH2:9]([OH:13])[CH2:10][CH2:11][CH3:12]>>[Br:8][C:5]1[CH:6]=[CH:7][C:2]([O:13][CH2:9][CH2:10][CH2:11][CH3:12])=[N:3][CH:4]=1
| null |
US20100144712A1_0347
| 2,010 |
Br[c:6]1[cH:7][cH:8][c:9]([Br:10])[cH:11][n:12]1.[CH3:1][CH2:2][CH2:3][CH2:4][OH:5]>>[CH3:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([Br:10])[cH:11][n:12]1
| 0.992542 |
Brc1ccc(Br)nc1.CCCCO>>CCCCOc1ccc(Br)cn1
|
Brc1ccc(Br)nc1.CCCCO>>CCCCOc1ccc(Br)cn1
|
US20100144712A1_0347apps
|
14c46c15fa6461d274bf880b5150153f2d59324b1c6077f416d64848
|
Br[c:6]1[cH:7][cH:8][c:9]([Br:10])[cH:11][n:12]1.[CH3:1][CH2:2][CH2:3][CH2:4][OH:5]
|
[CH3:1][CH2:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([Br:10])[cH:11][n:12]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[O;H0;D2;+0:5]-[C:4])>>(Br-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[OH;D1;+0:5])
|
0342bdad8e7fff14a6be4ee6226b231729f96655f75c5bc5e0281494
| 1 | 1 | null | 551 |
307,809 | 1,000,860 | 1,692,448 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:21][CH3:22])=[C:17]([OH:20])[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:5]=[CH:6][C:7]=1[F:8].C([O-])([O-])=O.[K+].[K+].Cl[CH2:30][CH2:31][CH2:32][N:33]1[CH2:38][CH2:37][C:36]2[N:39]([CH3:43])[N:40]=[C:41]([CH3:42])[C:35]=2[CH2:34]1>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:21][CH3:22])=[C:17]([O:20][CH2:30][CH2:31][CH2:32][N:33]4[CH2:38][CH2:37][C:36]5[N:39]([CH3:43])[N:40]=[C:41]([CH3:42])[C:35]=5[CH2:34]4)[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:5]=[CH:6][C:7]=1[F:8]
|
|f:1.2.3|
|
US09181277B2_0669
| 2,015 |
CN(C)C=O.Cl[CH2:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][c:29]2[c:30]([c:31]([CH3:32])[n:33][n:34]2[CH3:35])[CH2:36]1.O=C([O-])[O-].[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:10][c:11]3[cH:12][cH:13][c:14]([F:15])[c:16]([Cl:17])[cH:18]3)[c:19]2[cH:20][c:21]1[OH:22].[K+].[K+]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:10][c:11]3[cH:12][cH:13][c:14]([F:15])[c:16]([Cl:17])[cH:18]3)[c:19]2[cH:20][c:21]1[O:22][CH2:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][c:29]2[c:30]([c:31]([CH3:32])[n:33][n:34]2[CH3:35])[CH2:36]1
| 0.980577 |
CN(C)C=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.Cc1nn(C)c2c1CN(CCCCl)CC2.O=C([O-])[O-]~[K+]~[K+]>>COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCc2c(c(C)nn2C)C1
|
CN(C)C=O.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O.Cc1nn(C)c2c1CN(CCCCl)CC2.O=C([O-])[O-].[K+].[K+]>>COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCc2c(c(C)nn2C)C1
|
US09181277B2_0669grants
|
8bceb36de80a557b785da33962ffc30bc195af799258a77b36a95025
|
CN(C)C=O.Cl[CH2:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][c:29]2[c:30]([c:31]([CH3:32])[n:33][n:34]2[CH3:35])[CH2:36]1.O=C([O-])[O-].[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:10][c:11]3[cH:12][cH:13][c:14]([F:15])[c:16]([Cl:17])[cH:18]3)[c:19]2[cH:20][c:21]1[OH:22].[K+].[K+]
|
[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([NH:10][c:11]3[cH:12][cH:13][c:14]([F:15])[c:16]([Cl:17])[cH:18]3)[c:19]2[cH:20][c:21]1[O:22][CH2:23][CH2:24][CH2:25][N:26]1[CH2:27][CH2:28][c:29]2[c:30]([c:31]([CH3:32])[n:33][n:34]2[CH3:35])[CH2:36]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.O=C([O-])[O-].[K+].[K+]
| 74 |
221,289 | 742,794 | 1,223,151 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10](Cl)(=[O:12])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[OH:14][CH:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1.C(N(CC)CC)C.O>C(Cl)Cl.CCOC(C)=O>[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10]([N:18]2[CH2:19][CH2:20][CH:15]([OH:14])[CH2:16][CH2:17]2)(=[O:12])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2]
| null |
US08258144B2_0568
| 2,012 |
CCN(CC)CC.CCOC(C)=O.ClCCl.Cl[S:8]([c:7]1[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:19][cH:18]1)(=[O:9])=[O:10].O.[NH:11]1[CH2:12][CH2:13][CH:14]([OH:15])[CH2:16][CH2:17]1>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([OH:15])[CH2:16][CH2:17]2)[cH:18][cH:19]1
| 0.493574 |
CCN(CC)CC.CCOC(C)=O.ClCCl.O.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.OC1CCNCC1>>O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
|
CCN(CC)CC.CCOC(C)=O.ClCCl.O.O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cc1.OC1CCNCC1>>O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
|
US08258144B2_0568grants
|
53c8a36e282f8a6ffcf07b75528eb43899d9706f58b3db60bc1f5a86
|
CCN(CC)CC.CCOC(C)=O.ClCCl.Cl[S:8]([c:7]1[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:19][cH:18]1)(=[O:9])=[O:10].O.[NH:11]1[CH2:12][CH2:13][CH:14]([OH:15])[CH2:16][CH2:17]1
|
[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([OH:15])[CH2:16][CH2:17]2)[cH:18][cH:19]1
|
([C:5]-[N;H0;D3;+0:6](-[C: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:5]-[NH;D2;+0:6]-[C:7])
|
1c3a913f221c79d5ab4e40f13ae7431f2711f9942a72ad3fc8bf5434
| 1 | 1 |
CCN(CC)CC.CCOC(C)=O.ClCCl.O
| 99 |
188,413 | 650,060 | 1,074,649 |
[OH-].[Na+].C[O:4][C:5](=[O:41])[CH2:6][C:7]1[CH:8]=[N:9][CH:10]=[C:11]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([CH2:38][CH3:39])([C:22]3[CH:27]=[CH:26][C:25](/[CH:28]=[CH:29]/[C:30]4([OH:36])[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]4)=[C:24]([CH3:37])[CH:23]=3)[CH2:20][CH3:21])=[CH:15][C:14]=2[CH3:40])[CH:12]=1.[Cl-].[NH4+]>CO>[CH2:20]([C:19]([C:16]1[CH:17]=[CH:18][C:13]([C:11]2[CH:12]=[C:7]([CH2:6][C:5]([OH:41])=[O:4])[CH:8]=[N:9][CH:10]=2)=[C:14]([CH3:40])[CH:15]=1)([C:22]1[CH:27]=[CH:26][C:25](/[CH:28]=[CH:29]/[C:30]2([OH:36])[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]2)=[C:24]([CH3:37])[CH:23]=1)[CH2:38][CH3:39])[CH3:21]
|
|f:0.1,3.4|
|
US07935688B2_1095
| 2,011 |
CO.C[O:34][C:32]([CH2:31][c:30]1[cH:29][n:28][cH:27][c:26](-[c:25]2[cH:24][cH:23][c:22]([C:3]([CH2:2][CH3:1])([CH2:4][CH3:5])[c:6]3[cH:7][cH:8][c:9](/[CH:10]=[CH:11]/[C:12]4([OH:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]4)[c:19]([CH3:20])[cH:21]3)[cH:38][c:36]2[CH3:37])[cH:35]1)=[O:33].[Cl-].[NH4+].[Na+].[OH-]>>[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])([c:6]1[cH:7][cH:8][c:9](/[CH:10]=[CH:11]/[C:12]2([OH:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]([CH3:20])[cH:21]1)[c:22]1[cH:23][cH:24][c:25](-[c:26]2[cH:27][n:28][cH:29][c:30]([CH2:31][C:32](=[O:33])[OH:34])[cH:35]2)[c:36]([CH3:37])[cH:38]1
| 0.701676 |
CCC(CC)(c1ccc(/C=C/C2(O)CCCCC2)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1.CO.[Cl-]~[NH4+].[Na+]~[OH-]>>CCC(CC)(c1ccc(/C=C/C2(O)CCCCC2)c(C)c1)c1ccc(-c2cncc(CC(=O)O)c2)c(C)c1
|
CCC(CC)(c1ccc(/C=C/C2(O)CCCCC2)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1.CO.[Cl-].[NH4+].[Na+].[OH-]>>CCC(CC)(c1ccc(/C=C/C2(O)CCCCC2)c(C)c1)c1ccc(-c2cncc(CC(=O)O)c2)c(C)c1
|
US07935688B2_1095grants
|
b20ada70b4544d71840612286d236dda13c7968b8e4b033caffbeb81
|
CO.C[O:34][C:32]([CH2:31][c:30]1[cH:29][n:28][cH:27][c:26](-[c:25]2[cH:24][cH:23][c:22]([C:3]([CH2:2][CH3:1])([CH2:4][CH3:5])[c:6]3[cH:7][cH:8][c:9](/[CH:10]=[CH:11]/[C:12]4([OH:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]4)[c:19]([CH3:20])[cH:21]3)[cH:38][c:36]2[CH3:37])[cH:35]1)=[O:33].[Cl-].[NH4+].[Na+].[OH-]
|
[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])([c:6]1[cH:7][cH:8][c:9](/[CH:10]=[CH:11]/[C:12]2([OH:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]([CH3:20])[cH:21]1)[c:22]1[cH:23][cH:24][c:25](-[c:26]2[cH:27][n:28][cH:29][c:30]([CH2:31][C:32](=[O:33])[OH:34])[cH:35]2)[c:36]([CH3:37])[cH:38]1
|
([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.[Cl-].[NH4+].[Na+].[OH-]
| 88 |
211,533 | 713,763 | 1,175,046 |
[CH:1]([C:4]1[N:5]=[C:6]([C:9]([N:11]2[CH2:16][C:15]3([CH2:21][CH2:20][N:19](C(OC(C)(C)C)=O)[CH2:18][CH2:17]3)[O:14][CH2:13][CH2:12]2)=[O:10])[S:7][CH:8]=1)([CH3:3])[CH3:2].FC(F)(F)C(O)=O.C1(C)C=CC=CC=1>C(Cl)Cl>[CH:1]([C:4]1[N:5]=[C:6]([C:9]([N:11]2[CH2:16][C:15]3([CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[O:14][CH2:13][CH2:12]2)=[O:10])[S:7][CH:8]=1)([CH3:3])[CH3:2]
| null |
US08148373B2_1402
| 2,012 |
CC(C)(C)OC(=O)[N:17]1[CH2:16][CH2:15][C:14]2([O:13][CH2:12][CH2:11][N:10]([C:8]([c:7]3[s:6][cH:5][c:4]([CH:2]([CH3:1])[CH3:3])[n:21]3)=[O:9])[CH2:20]2)[CH2:19][CH2:18]1.Cc1ccccc1.ClCCl.O=C(O)C(F)(F)F>>[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][s:6][c:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][C:14]3([CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[CH2:20]2)[n:21]1
| 0.870457 |
CC(C)c1csc(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1.Cc1ccccc1.ClCCl.O=C(O)C(F)(F)F>>CC(C)c1csc(C(=O)N2CCOC3(CCNCC3)C2)n1
|
CC(C)c1csc(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)n1.Cc1ccccc1.ClCCl.O=C(O)C(F)(F)F>>CC(C)c1csc(C(=O)N2CCOC3(CCNCC3)C2)n1
|
US08148373B2_1402grants
|
87c517fdeb0d39408f647707a0e10087684d3bb450bf793d5e8255ae
|
CC(C)(C)OC(=O)[N:17]1[CH2:16][CH2:15][C:14]2([O:13][CH2:12][CH2:11][N:10]([C:8]([c:7]3[s:6][cH:5][c:4]([CH:2]([CH3:1])[CH3:3])[n:21]3)=[O:9])[CH2:20]2)[CH2:19][CH2:18]1.Cc1ccccc1.ClCCl.O=C(O)C(F)(F)F
|
[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][s:6][c:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][O:13][C:14]3([CH2:15][CH2:16][NH:17][CH2:18][CH2:19]3)[CH2:20]2)[n:21]1
|
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
|
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
| 1 | 1 |
Cc1ccccc1.ClCCl.O=C(O)C(F)(F)F
| 575 |
11,803 | 59,566 | 97,102 |
[OH:1][P:2]([CH2:14][C:15]([N:17]1[C@H:25]([C:26]([O:28]C)=[O:27])[CH2:24][C:19]2([S:23][CH2:22][CH2:21][S:20]2)[CH2:18]1)=[O:16])([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:3].[OH-].[Na+]>>[OH:3][P:2]([CH2:14][C:15]([N:17]1[C@H:25]([C:26]([OH:28])=[O:27])[CH2:24][C:19]2([S:20][CH2:21][CH2:22][S:23]2)[CH2:18]1)=[O:16])([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:1]
|
|f:1.2|
|
US04337201_
| 1,982 |
C[O:3][C:2](=[O:1])[C@@H:4]1[CH2:5][C:6]2([CH2:7][N:8]1[C:9](=[O:10])[CH2:11][P:12](=[O:13])([OH:14])[CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[S:25][CH2:26][CH2:27][S:28]2.[Na+].[OH-]>>[O:1]=[C:2]([OH:3])[C@@H:4]1[CH2:5][C:6]2([CH2:7][N:8]1[C:9](=[O:10])[CH2:11][P:12](=[O:13])([OH:14])[CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[S:25][CH2:26][CH2:27][S:28]2
| 0.744964 |
COC(=O)[C@@H]1CC2(CN1C(=O)CP(=O)(O)CCCCc1ccccc1)SCCS2.[Na+]~[OH-]>>O=C(O)[C@@H]1CC2(CN1C(=O)CP(=O)(O)CCCCc1ccccc1)SCCS2
|
COC(=O)[C@@H]1CC2(CN1C(=O)CP(=O)(O)CCCCc1ccccc1)SCCS2.[Na+].[OH-]>>O=C(O)[C@@H]1CC2(CN1C(=O)CP(=O)(O)CCCCc1ccccc1)SCCS2
|
US04337201_grants
|
c9cb866bff07d1ea02f9768b69542ac4dd86c84583d38604b4a416df
|
C[O:3][C:2](=[O:1])[C@@H:4]1[CH2:5][C:6]2([CH2:7][N:8]1[C:9](=[O:10])[CH2:11][P:12](=[O:13])([OH:14])[CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[S:25][CH2:26][CH2:27][S:28]2.[Na+].[OH-]
|
[O:1]=[C:2]([OH:3])[C@@H:4]1[CH2:5][C:6]2([CH2:7][N:8]1[C:9](=[O:10])[CH2:11][P:12](=[O:13])([OH:14])[CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[S:25][CH2:26][CH2:27][S:28]2
|
([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 |
[Na+].[OH-]
| 88 |
356,145 | 563,697 | null |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][N:3]=1.C1C=C(Cl)C=C(C(OO)=[O:17])C=1.[O-]S([O-])(=S)=O.[Na+].[Na+]>C(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][N+:3]=1[O-:17]
|
|f:2.3.4|
|
US20080090863A1_1007
| 2,008 |
ClC(Cl)Cl.O=C(O[OH:1])c1cccc(Cl)c1.O=S([O-])([O-])=S.[Na+].[Na+].[n:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9]>>[O-:1][n+:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9]
| 0.931976 |
ClC(Cl)Cl.Clc1ccnc(Cl)c1.O=C(OO)c1cccc(Cl)c1.O=S([O-])([O-])=S~[Na+]~[Na+]>>[O-][n+]1ccc(Cl)cc1Cl
|
ClC(Cl)Cl.Clc1ccnc(Cl)c1.O=C(OO)c1cccc(Cl)c1.O=S([O-])([O-])=S.[Na+].[Na+]>>[O-][n+]1ccc(Cl)cc1Cl
|
US20080090863A1_1007apps
|
3889aa0e3d44711bddf3e9d5fddb371c570221c5280821de767ee263
|
ClC(Cl)Cl.O=C(O[OH:1])c1cccc(Cl)c1.O=S([O-])([O-])=S.[Na+].[Na+].[n:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9]
|
[O-:1][n+:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][c:8]1[Cl:9]
|
([O-;H0;D1:1]-[n+;H0;D3:3](:[c:2]):[c:4])>>(Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1).([c:2]:[n;H0;D2;+0:3]:[c:4])
|
ca219e76a3c4f0b5f31ac60dbbbb3acc6d2707daf953cc659d960631
| 1 | 1 |
ClC(Cl)Cl.O=S([O-])([O-])=S.[Na+].[Na+]
| 262 |
30 | 131 | 134 |
[O:1]1[CH2:19][CH:2]1[CH2:3][O:4][C:5]1[CH:18]=[CH:17][C:8]([C:9]([CH2:11][CH2:12][C:13]([NH:15][CH3:16])=[O:14])=[O:10])=[CH:7][CH:6]=1.[CH:20]([NH2:23])([CH3:22])[CH3:21]>CO>[OH:1][CH:2]([CH2:19][NH:23][CH:20]([CH3:22])[CH3:21])[CH2:3][O:4][C:5]1[CH:18]=[CH:17][C:8]([C:9]([CH2:11][CH2:12][C:13]([NH:15][CH3:16])=[O:14])=[O:10])=[CH:7][CH:6]=1
| null |
US03931177_
| 1,976 |
CO.[CH3:1][NH:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:13][CH2:14][CH:15]2[O:16][CH2:17]2)[cH:22][cH:23]1.[NH2:18][CH:19]([CH3:20])[CH3:21]>>[CH3:1][NH:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:13][CH2:14][CH:15]([OH:16])[CH2:17][NH:18][CH:19]([CH3:20])[CH3:21])[cH:22][cH:23]1
| 0.602735 |
CC(C)N.CNC(=O)CCC(=O)c1ccc(OCC2CO2)cc1.CO>>CNC(=O)CCC(=O)c1ccc(OCC(O)CNC(C)C)cc1
|
CC(C)N.CNC(=O)CCC(=O)c1ccc(OCC2CO2)cc1.CO>>CNC(=O)CCC(=O)c1ccc(OCC(O)CNC(C)C)cc1
|
US03931177_grants
|
c86ea90059210c82ea7b3bda2673b139f34d54fc278fd8f6aca62d18
|
CO.[CH3:1][NH:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:13][CH2:14][CH:15]2[O:16][CH2:17]2)[cH:22][cH:23]1.[NH2:18][CH:19]([CH3:20])[CH3:21]
|
[CH3:1][NH:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([O:13][CH2:14][CH:15]([OH:16])[CH2:17][NH:18][CH:19]([CH3:20])[CH3:21])[cH:22][cH:23]1
|
([C:1]-[NH;D2;+0:2]-[CH2;D2;+0:4]-[C:3]-[OH;D1;+0:5])>>([C:1]-[NH2;D1;+0:2]).([C:3]1-[CH2;D2;+0:4]-[O;H0;D2;+0:5]-1)
|
a64654c0048b5edce1f32a423fd4a2fedc6445b8bf94be41b127a623
| 1 | 1 |
CO
| 16 |
193,555 | 665,437 | 1,100,474 |
[F:1][C:2]1[C:7]2[C:8]([C:18]([NH:20][CH3:21])=[O:19])=[C:9]([C:11]3[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=3)[O:10][C:6]=2[CH:5]=[CH:4][C:3]=1[OH:22].C(N(CC)CC)C.[F:30][C:31]([F:50])([F:49])[S:32](N(C1C=CC=CC=1)[S:32]([C:31]([F:50])([F:49])[F:30])(=[O:34])=[O:33])(=[O:34])=[O:33]>C(Cl)Cl>[F:30][C:31]([F:50])([F:49])[S:32]([O:22][C:3]1[CH:4]=[CH:5][C:6]2[O:10][C:9]([C:11]3[CH:12]=[CH:13][C:14]([F:17])=[CH:15][CH:16]=3)=[C:8]([C:18](=[O:19])[NH:20][CH3:21])[C:7]=2[C:2]=1[F:1])(=[O:34])=[O:33]
| null |
US07994171B2_0992
| 2,011 |
CCN(CC)CC.ClCCl.O=S(=O)(N(c1ccccc1)[S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])C(F)(F)F.[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][cH:17][c:18]([OH:19])[c:27]([F:28])[c:29]12>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][cH:17][c:18]([O:19][S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])[c:27]([F:28])[c:29]12
| 0.102425 |
CCN(CC)CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)c(F)c12.ClCCl.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F>>CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)c(F)c12
|
CCN(CC)CC.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(O)c(F)c12.ClCCl.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F>>CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(OS(=O)(=O)C(F)(F)F)c(F)c12
|
US07994171B2_0992grants
|
d3996ffcaddfc052c4f05b3e71ac8432c0dec7704adfa7299f8c930d
|
CCN(CC)CC.ClCCl.O=S(=O)(N(c1ccccc1)[S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])C(F)(F)F.[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][cH:17][c:18]([OH:19])[c:27]([F:28])[c:29]12
|
[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][cH:17][c:18]([O:19][S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])[c:27]([F:28])[c:29]12
|
([F;D1;H0:5]-[C:4](-[F;D1;H0:6])(-[F;D1;H0:7])-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[O;H0;D2;+0:8]-[c:9])>>(F-C(-F)(-F)-S(=O)(=O)-N(-c1:c:c:c:c:c:1)-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[C:4](-[F;D1;H0:5])(-[F;D1;H0:6])-[F;D1;H0:7]).([OH;D1;+0:8]-[c:9])
|
ed5a01bd81c3a86dde0a629c19e860295cc4c3c8aa651f5304fdee39
| 1 | 1 |
CCN(CC)CC.ClCCl
| 843 |
443,887 | 1,932,314 | null |
[Br:1][C:2]1[C:3]([Cl:9])=[N:4][CH:5]=[CH:6][C:7]=1[NH2:8].CCN(C(C)C)C(C)C.[C:19](Cl)(=[O:21])[CH3:20]>C(Cl)Cl>[Br:1][C:2]1[C:3]([Cl:9])=[N:4][CH:5]=[CH:6][C:7]=1[NH:8][C:19](=[O:21])[CH3:20]
| null |
US20160264553A1_0783
| 2,016 |
CCN(C(C)C)C(C)C.ClCCl.Cl[C:2]([CH3:1])=[O:3].[NH2:4][c:5]1[cH:6][cH:7][n:8][c:9]([Cl:10])[c:11]1[Br:12]>>[CH3:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][n:8][c:9]([Cl:10])[c:11]1[Br:12]
| 0.998073 |
CC(=O)Cl.CCN(C(C)C)C(C)C.ClCCl.Nc1ccnc(Cl)c1Br>>CC(=O)Nc1ccnc(Cl)c1Br
|
CC(=O)Cl.CCN(C(C)C)C(C)C.ClCCl.Nc1ccnc(Cl)c1Br>>CC(=O)Nc1ccnc(Cl)c1Br
|
US20160264553A1_0783apps
|
a2404db363e626e94d761904db36dd4b9fbad21a7d2e7707d3250955
|
CCN(C(C)C)C(C)C.ClCCl.Cl[C:2]([CH3:1])=[O:3].[NH2:4][c:5]1[cH:6][cH:7][n:8][c:9]([Cl:10])[c:11]1[Br:12]
|
[CH3:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][n:8][c:9]([Cl:10])[c:11]1[Br:12]
|
([C;D1;H3:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:4]-[c:5])>>(Cl-[C;H0;D3;+0:1](-[C;D1;H3:2])=[O;D1;H0:3]).([NH2;D1;+0:4]-[c:5])
|
3c2f9ebaf4afd5ac92b5ac7c3ff0ba51ecfcd4d148a3c3aad01989cb
| 1 | 1 |
CCN(C(C)C)C(C)C.ClCCl
| 9 |
158,159 | 561,077 | 936,674 |
[H-].[Na+].[C:3]([O:7][C:8](=[O:15])[NH:9][CH2:10][CH2:11][O:12][CH2:13][CH3:14])([CH3:6])([CH3:5])[CH3:4].[CH3:16]I.O>O1CCCC1>[C:3]([O:7][C:8](=[O:15])[N:9]([CH2:10][CH2:11][O:12][CH2:13][CH3:14])[CH3:16])([CH3:6])([CH3:5])[CH3:4]
|
|f:0.1|
|
US07612114B2_1930
| 2,009 |
C1CCOC1.I[CH3:7].O.[CH3:1][CH2:2][O:3][CH2:4][CH2:5][NH:6][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14].[H-].[Na+]>>[CH3:1][CH2:2][O:3][CH2:4][CH2:5][N:6]([CH3:7])[C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14]
| 0.457214 |
C1CCOC1.CCOCCNC(=O)OC(C)(C)C.CI.O.[H-]~[Na+]>>CCOCCN(C)C(=O)OC(C)(C)C
|
C1CCOC1.CCOCCNC(=O)OC(C)(C)C.CI.O.[H-].[Na+]>>CCOCCN(C)C(=O)OC(C)(C)C
|
US07612114B2_1930grants
|
10d0618d37b24cb2860130c50538844c5c62ca3085bc40790fd0aa26
|
C1CCOC1.I[CH3:7].O.[CH3:1][CH2:2][O:3][CH2:4][CH2:5][NH:6][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14].[H-].[Na+]
|
[CH3:1][CH2:2][O:3][CH2:4][CH2:5][N:6]([CH3:7])[C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14]
|
([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.O.[H-].[Na+]
| 803 |
271,536 | 891,380 | 1,486,853 |
[CH2:1]([NH:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[N:14]=[C:15]([N:22]3[CH2:27][CH2:26][O:25][CH2:24][C@@H:23]3[CH3:28])[C:16]3[CH2:21][NH:20][CH2:19][C:17]=3[N:18]=2)=[CH:9][CH:8]=1)=[O:5])[CH3:2].C(N(CC)CC)C.[C:36](Cl)(=[O:38])[CH3:37]>C(Cl)Cl>[C:36]([N:20]1[CH2:21][C:16]2[C:15]([N:22]3[CH2:27][CH2:26][O:25][CH2:24][C@@H:23]3[CH3:28])=[N:14][C:13]([C:10]3[CH:11]=[CH:12][C:7]([NH:6][C:4]([NH:3][CH2:1][CH3:2])=[O:5])=[CH:8][CH:9]=3)=[N:18][C:17]=2[CH2:19]1)(=[O:38])[CH3:37]
| null |
US08785457B2_0569
| 2,014 |
CCN(CC)CC.ClCCl.Cl[C:26]([CH3:27])=[O:28].[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH3:22])[n:23]2)[CH2:24][NH:25][CH2:29]3)[cH:30][cH:31]1>>[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH3:22])[n:23]2)[CH2:24][N:25]([C:26]([CH3:27])=[O:28])[CH2:29]3)[cH:30][cH:31]1
| 0.956829 |
CC(=O)Cl.CCN(CC)CC.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CNC3)cc1.ClCCl>>CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(C(C)=O)C3)cc1
|
CC(=O)Cl.CCN(CC)CC.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CNC3)cc1.ClCCl>>CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CN(C(C)=O)C3)cc1
|
US08785457B2_0569grants
|
46ad89545b30c7995443c8470879d2cb630f4019ecc9a5da2bf38067
|
CCN(CC)CC.ClCCl.Cl[C:26]([CH3:27])=[O:28].[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH3:22])[n:23]2)[CH2:24][NH:25][CH2:29]3)[cH:30][cH:31]1
|
[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH3:22])[n:23]2)[CH2:24][N:25]([C:26]([CH3:27])=[O:28])[CH2:29]3)[cH:30][cH:31]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](-[C;D1;H3:2])=[O;D1;H0:3])>>(Cl-[C;H0;D3;+0:1](-[C;D1;H3:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
58bfc612ddb3c3923670b0fade9423da56792769e45e6b088debac9e
| 1 | 1 |
CCN(CC)CC.ClCCl
| 125 |
397,919 | 1,317,769 | null |
[CH3:1][C:2]1[C:10]2[C:9]([C:11](O)=[O:12])=[CH:8][C:7]([CH3:14])=[N:6][C:5]=2[N:4]([C:15]2[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=2)[N:3]=1.[CH3:22][C:23]1[C:28]([NH2:29])=[C:27]([CH3:30])[CH:26]=[CH:25][N:24]=1.P(Cl)(Cl)(Cl)=O>N1C=CC=CC=1>[CH3:22][C:23]1[C:28]([NH:29][C:11]([C:9]2[C:10]3[C:2]([CH3:1])=[N:3][N:4]([C:15]4[CH:20]=[CH:19][C:18]([CH3:21])=[CH:17][CH:16]=4)[C:5]=3[N:6]=[C:7]([CH3:14])[CH:8]=2)=[O:12])=[C:27]([CH3:30])[CH:26]=[CH:25][N:24]=1
| null |
US20130005743A1_0227
| 2,013 |
O=P(Cl)(Cl)Cl.O[C:12]([c:11]1[c:10]2[c:8]([CH3:9])[n:7][n:6](-[c:5]3[cH:4][cH:3][c:2]([CH3:1])[cH:29][cH:28]3)[c:27]2[n:26][c:24]([CH3:25])[cH:23]1)=[O:13].[NH2:14][c:15]1[c:16]([CH3:17])[cH:18][cH:19][n:20][c:21]1[CH3:22].c1ccncc1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[n:6]2[n:7][c:8]([CH3:9])[c:10]3[c:11]([C:12](=[O:13])[NH:14][c:15]4[c:16]([CH3:17])[cH:18][cH:19][n:20][c:21]4[CH3:22])[cH:23][c:24]([CH3:25])[n:26][c:27]23)[cH:28][cH:29]1
| 0.913282 |
Cc1ccc(-n2nc(C)c3c(C(=O)O)cc(C)nc32)cc1.Cc1ccnc(C)c1N.O=P(Cl)(Cl)Cl.c1ccncc1>>Cc1ccc(-n2nc(C)c3c(C(=O)Nc4c(C)ccnc4C)cc(C)nc32)cc1
|
Cc1ccc(-n2nc(C)c3c(C(=O)O)cc(C)nc32)cc1.Cc1ccnc(C)c1N.O=P(Cl)(Cl)Cl.c1ccncc1>>Cc1ccc(-n2nc(C)c3c(C(=O)Nc4c(C)ccnc4C)cc(C)nc32)cc1
|
US20130005743A1_0227apps
|
5ca208d5e927df3a780979ac043bda89ecd91f5dbb1cc278d0b56247
|
O=P(Cl)(Cl)Cl.O[C:12]([c:11]1[c:10]2[c:8]([CH3:9])[n:7][n:6](-[c:5]3[cH:4][cH:3][c:2]([CH3:1])[cH:29][cH:28]3)[c:27]2[n:26][c:24]([CH3:25])[cH:23]1)=[O:13].[NH2:14][c:15]1[c:16]([CH3:17])[cH:18][cH:19][n:20][c:21]1[CH3:22].c1ccncc1
|
[CH3:1][c:2]1[cH:3][cH:4][c:5](-[n:6]2[n:7][c:8]([CH3:9])[c:10]3[c:11]([C:12](=[O:13])[NH:14][c:15]4[c:16]([CH3:17])[cH:18][cH:19][n:20][c:21]4[CH3:22])[cH:23][c:24]([CH3:25])[n:26][c:27]23)[cH:28][cH:29]1
|
([#7;a:4]:[c:5]:[c:6]-[NH;D2;+0:7]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([#7;a:4]:[c:5]:[c:6]-[NH2;D1;+0:7])
|
b8ebf9c0799e9085ce4ad20283736114ddc62bff1028a5c57a9d1f93
| 1 | 1 |
O=P(Cl)(Cl)Cl.c1ccncc1
| 759 |
396,751 | 1,295,598 | null |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[C:4]([Cl:12])[C:3]=1[NH:13][NH2:14].[OH:15][C:16]1[CH:23]=[CH:22][C:19]([CH:20]=O)=[CH:18][CH:17]=1>>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:9])([F:11])[F:10])[CH:5]=[C:4]([Cl:12])[C:3]=1[NH:13][N:14]=[CH:20][C:19]1[CH:22]=[CH:23][C:16]([OH:15])=[CH:17][CH:18]=1
| null |
US20120282629A1_0323
| 2,012 |
O=[CH:6][c:5]1[cH:4][cH:3][c:2]([OH:1])[cH:22][cH:21]1.[NH2:7][NH:8][c:9]1[c:10]([Cl:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][c:19]1[Cl:20]>>[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[N:7][NH:8][c:9]2[c:10]([Cl:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][c:19]2[Cl:20])[cH:21][cH:22]1
| 0.256834 |
NNc1c(Cl)cc(C(F)(F)F)cc1Cl.O=Cc1ccc(O)cc1>>Oc1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
|
NNc1c(Cl)cc(C(F)(F)F)cc1Cl.O=Cc1ccc(O)cc1>>Oc1ccc(C=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1
|
US20120282629A1_0323apps
|
c4921371567e22b1b94e9ead869fe72a19a0f93195560b2104fb88d1
|
O=[CH:6][c:5]1[cH:4][cH:3][c:2]([OH:1])[cH:22][cH:21]1.[NH2:7][NH:8][c:9]1[c:10]([Cl:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][c:19]1[Cl:20]
|
[OH:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[N:7][NH:8][c:9]2[c:10]([Cl:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][c:19]2[Cl:20])[cH:21][cH:22]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 |
757 | 3,923 | 4,344 |
C(N(CC)CC)C.[CH3:8][C:9]1[N:14]=[C:13](Cl)[C:12]([N+:16]([O-:18])=[O:17])=[C:11]([Cl:19])[N:10]=1.[CH:20]([NH2:23])([CH3:22])[CH3:21]>O>[CH3:8][C:9]1[N:10]=[C:11]([Cl:19])[C:12]([N+:16]([O-:18])=[O:17])=[C:13]([NH:23][CH:20]([CH3:22])[CH3:21])[N:14]=1
| null |
US03948914_
| 1,976 |
CCN(CC)CC.Cl[c:10]1[c:6]([N+:7](=[O:8])[O-:9])[c:4]([Cl:5])[n:3][c:2]([CH3:1])[n:15]1.O.[NH2:11][CH:12]([CH3:13])[CH3:14]>>[CH3:1][c:2]1[n:3][c:4]([Cl:5])[c:6]([N+:7](=[O:8])[O-:9])[c:10]([NH:11][CH:12]([CH3:13])[CH3:14])[n:15]1
| 0.587143 |
CC(C)N.CCN(CC)CC.Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1.O>>Cc1nc(Cl)c([N+](=O)[O-])c(NC(C)C)n1
|
CC(C)N.CCN(CC)CC.Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1.O>>Cc1nc(Cl)c([N+](=O)[O-])c(NC(C)C)n1
|
US03948914_grants
|
40bb8e7b46ecacbc78168d503fb9305725a44e1a8407edb4a54d48d3
|
CCN(CC)CC.Cl[c:10]1[c:6]([N+:7](=[O:8])[O-:9])[c:4]([Cl:5])[n:3][c:2]([CH3:1])[n:15]1.O.[NH2:11][CH:12]([CH3:13])[CH3:14]
|
[CH3:1][c:2]1[n:3][c:4]([Cl:5])[c:6]([N+:7](=[O:8])[O-:9])[c:10]([NH:11][CH:12]([CH3:13])[CH3:14])[n:15]1
|
([C:7]-[NH;D2;+0:8]-[c;H0;D3;+0:1]1:[#7;a:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1)>>(Cl-[c;H0;D3;+0:1]1:[#7;a:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1).([C:7]-[NH2;D1;+0:8])
|
9ba15a7b9393a64a7fde93acd4e7b07a21f5e92fd01af7815d1917a2
| 1 | 1 |
CCN(CC)CC.O
| 166 |
156,991 | 557,331 | 931,032 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:28]([F:31])([F:30])[F:29])=[C:6]([CH:27]=1)[CH2:7][N:8]1[CH2:13][CH2:12][NH:11][C:10]2[N:14]=[CH:15][C:16]([C:18]3[CH:19]=[C:20]([CH:24]=[CH:25][CH:26]=3)[C:21](O)=[O:22])=[CH:17][C:9]1=2.[F:32][C:33]([F:47])([F:46])[C:34]1[CH:35]=[C:36]([CH:39]=[C:40]([C:42]([F:45])([F:44])[F:43])[CH:41]=1)[CH2:37][NH2:38]>>[F:32][C:33]([F:46])([F:47])[C:34]1[CH:35]=[C:36]([CH:39]=[C:40]([C:42]([F:45])([F:43])[F:44])[CH:41]=1)[CH2:37][NH:38][C:21](=[O:22])[C:20]1[CH:24]=[CH:25][CH:26]=[C:18]([C:16]2[CH:15]=[N:14][C:10]3[NH:11][CH2:12][CH2:13][N:8]([CH2:7][C:6]4[CH:27]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=4[C:28]([F:31])([F:30])[F:29])[C:9]=3[CH:17]=2)[CH:19]=1
| null |
US07601716B2_1049
| 2,009 |
O[C:2](=[O:1])[c:19]1[cH:20][cH:21][cH:22][c:23](-[c:24]2[cH:25][n:26][c:27]3[c:28]([cH:29]2)[N:30]([CH2:31][c:32]2[cH:33][c:34]([Cl:35])[cH:36][cH:37][c:38]2[C:39]([F:40])([F:41])[F:42])[CH2:43][CH2:44][NH:45]3)[cH:46]1.[NH2:3][CH2:4][c:5]1[cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]1>>[O:1]=[C:2]([NH:3][CH2:4][c:5]1[cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]1)[c:19]1[cH:20][cH:21][cH:22][c:23](-[c:24]2[cH:25][n:26][c:27]3[c:28]([cH:29]2)[N:30]([CH2:31][c:32]2[cH:33][c:34]([Cl:35])[cH:36][cH:37][c:38]2[C:39]([F:40])([F:41])[F:42])[CH2:43][CH2:44][NH:45]3)[cH:46]1
| 0.022288 |
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1>>O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1
|
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(O)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1>>O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1
|
US07601716B2_1049grants
|
f6f6cdf3e066b1e2c0d4b559a5f65cb7182c83cead4a7825b4b31fa6
|
O[C:2](=[O:1])[c:19]1[cH:20][cH:21][cH:22][c:23](-[c:24]2[cH:25][n:26][c:27]3[c:28]([cH:29]2)[N:30]([CH2:31][c:32]2[cH:33][c:34]([Cl:35])[cH:36][cH:37][c:38]2[C:39]([F:40])([F:41])[F:42])[CH2:43][CH2:44][NH:45]3)[cH:46]1.[NH2:3][CH2:4][c:5]1[cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]1
|
[O:1]=[C:2]([NH:3][CH2:4][c:5]1[cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]1)[c:19]1[cH:20][cH:21][cH:22][c:23](-[c:24]2[cH:25][n:26][c:27]3[c:28]([cH:29]2)[N:30]([CH2:31][c:32]2[cH:33][c:34]([Cl:35])[cH:36][cH:37][c:38]2[C:39]([F:40])([F:41])[F:42])[CH2:43][CH2:44][NH:45]3)[cH:46]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 | null | 753 |
18,205 | 88,582 | 144,331 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([OH:9])[CH:6]=[CH:5][C:4]=1[C:10]1[NH:11][C:12]2[CH:18]=[CH:17][CH:16]=[CH:15][C:13]=2[N:14]=1.[F:19][C:20]([F:33])([F:32])[S:21](O[S:21]([C:20]([F:33])([F:32])[F:19])(=[O:23])=[O:22])(=[O:23])=[O:22]>>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][S:21]([C:20]([F:33])([F:32])[F:19])(=[O:23])=[O:22])[CH:6]=[CH:5][C:4]=1[C:10]1[NH:14][C:13]2[CH:15]=[CH:16][CH:17]=[CH:18][C:12]=2[N:11]=1
| null |
US04582837_
| 1,986 |
O=S(=O)(O[S:7](=[O:8])(=[O:9])[C:10]([F:11])([F:12])[F:13])C(F)(F)F.[CH3:1][O:2][c:3]1[cH:4][c:5]([OH:6])[cH:14][cH:15][c:16]1-[c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[nH:25]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][S:7](=[O:8])(=[O:9])[C:10]([F:11])([F:12])[F:13])[cH:14][cH:15][c:16]1-[c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[nH:25]1
| 0.119315 |
COc1cc(O)ccc1-c1nc2ccccc2[nH]1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>>COc1cc(OS(=O)(=O)C(F)(F)F)ccc1-c1nc2ccccc2[nH]1
|
COc1cc(O)ccc1-c1nc2ccccc2[nH]1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>>COc1cc(OS(=O)(=O)C(F)(F)F)ccc1-c1nc2ccccc2[nH]1
|
US04582837_grants
|
b2949ede0a83cfb69b3ca202a70d1ff7ac751afd057392e2f8647733
|
O=S(=O)(O[S:7](=[O:8])(=[O:9])[C:10]([F:11])([F:12])[F:13])C(F)(F)F.[CH3:1][O:2][c:3]1[cH:4][c:5]([OH:6])[cH:14][cH:15][c:16]1-[c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[nH:25]1
|
[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][S:7](=[O:8])(=[O:9])[C:10]([F:11])([F:12])[F:13])[cH:14][cH:15][c:16]1-[c:17]1[n:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[nH:25]1
|
([F;D1;H0:5]-[C:4](-[F;D1;H0:6])(-[F;D1;H0:7])-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[O;H0;D2;+0:8]-[c:9])>>(F-C(-F)(-F)-S(=O)(=O)-O-[S;H0;D4;+0:1](=[O;D1;H0:2])(=[O;D1;H0:3])-[C:4](-[F;D1;H0:5])(-[F;D1;H0:6])-[F;D1;H0:7]).([OH;D1;+0:8]-[c:9])
|
99db519e153161d9e1a0b089bc1dd8038bb89ab236fbb46bac2ac4f7
| 1 | 1 | null | 731 |
41,146 | 183,116 | 294,441 |
[Si:1]([O:8][C@@H:9]([C@@H:11]1[C@@H:14]([C@H:15]([C:17]([O:19]CC2C=CC=CC=2)=[O:18])[CH3:16])[N:13]([CH2:27][C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[C:12]1=[O:35])[CH3:10])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2]>C(O)C.[C].[Pd]>[Si:1]([O:8][C@@H:9]([C@@H:11]1[C@@H:14]([C@H:15]([C:17]([OH:19])=[O:18])[CH3:16])[N:13]([CH2:27][C:28]([O:30][C:31]([CH3:32])([CH3:34])[CH3:33])=[O:29])[C:12]1=[O:35])[CH3:10])([C:4]([CH3:5])([CH3:6])[CH3:7])([CH3:3])[CH3:2]
|
|f:2.3|
|
US05310897_
| 1,994 |
CCO.[C].[Pd].c1ccc(C[O:28][C:26]([C@@H:24]([C@@H:23]2[C@@H:11]([C@@H:2]([CH3:1])[O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C:12](=[O:13])[N:14]2[CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH3:25])=[O:27])cc1>>[CH3:1][C@@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[C:12](=[O:13])[N:14]([CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[C@@H:23]1[C@@H:24]([CH3:25])[C:26](=[O:27])[OH:28]
| 0.15918 |
CCO.C[C@@H](C(=O)OCc1ccccc1)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C.[C]~[Pd]>>C[C@@H](C(=O)O)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C
|
CCO.C[C@@H](C(=O)OCc1ccccc1)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C.[C].[Pd]>>C[C@@H](C(=O)O)[C@@H]1[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1CC(=O)OC(C)(C)C
|
US05310897_grants
|
fc704feaaae0981dbb658f4397df074e274198890d564d41ce78addf
|
CCO.[C].[Pd].c1ccc(C[O:28][C:26]([C@@H:24]([C@@H:23]2[C@@H:11]([C@@H:2]([CH3:1])[O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C:12](=[O:13])[N:14]2[CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH3:25])=[O:27])cc1
|
[CH3:1][C@@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[C:12](=[O:13])[N:14]([CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[C@@H:23]1[C@@H:24]([CH3:25])[C:26](=[O:27])[OH:28]
|
([C:1]-[C:2](=[O;D1;H0:3])-[OH;D1;+0:4])>>([C:1]-[C:2](=[O;D1;H0:3])-[O;H0;D2;+0:4]-C-c1:c:c:c:c:c:1)
|
3358e9d74bcf91ba7e96568094da103c2e3a143a7d89e0937034db20
| 1 | 1 |
CCO.[C].[Pd]
| 186 |
386,298 | 1,043,882 | null |
F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.[N:23]1([C@H:29]2[CH2:32][C@H:31]([S:33][C:34]3[CH:42]=[CH:41][C:37]([C:38]([OH:40])=O)=[CH:36][CH:35]=3)[CH2:30]2)[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1.C(N(C(C)C)CC)(C)C.[NH:52]1[CH2:57][CH2:56][O:55][CH2:54][CH2:53]1>CN(C)C=O>[N:23]1([C@H:29]2[CH2:30][C@H:31]([S:33][C:34]3[CH:35]=[CH:36][C:37]([C:38]([N:52]4[CH2:57][CH2:56][O:55][CH2:54][CH2:53]4)=[O:40])=[CH:41][CH:42]=3)[CH2:32]2)[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1
|
|f:0.1|
|
US20110098300A1_0400
| 2,011 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.O[C:2](=[O:1])[c:3]1[cH:4][cH:5][c:6]([S:7][C@H:8]2[CH2:9][C@H:10]([N:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17]2)[cH:18][cH:19]1.[NH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1>>[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]([S:7][C@H:8]2[CH2:9][C@H:10]([N:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17]2)[cH:18][cH:19]1)[N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1
| 0.595255 |
C1COCCN1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.CN(C)C=O.O=C(O)c1ccc(S[C@@H]2C[C@@H](N3CCCCC3)C2)cc1>>O=C(c1ccc(S[C@@H]2C[C@@H](N3CCCCC3)C2)cc1)N1CCOCC1
|
C1COCCN1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.O=C(O)c1ccc(S[C@@H]2C[C@@H](N3CCCCC3)C2)cc1>>O=C(c1ccc(S[C@@H]2C[C@@H](N3CCCCC3)C2)cc1)N1CCOCC1
|
US20110098300A1_0400apps
|
242205cb05e4d9f4f77b9b9285c078b0bd9b59a21c0bb04438c41be9
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.O[C:2](=[O:1])[c:3]1[cH:4][cH:5][c:6]([S:7][C@H:8]2[CH2:9][C@H:10]([N:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17]2)[cH:18][cH:19]1.[NH:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1
|
[O:1]=[C:2]([c:3]1[cH:4][cH:5][c:6]([S:7][C@H:8]2[CH2:9][C@H:10]([N:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17]2)[cH:18][cH:19]1)[N:20]1[CH2:21][CH2:22][O:23][CH2:24][CH2:25]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
11438d3fa968bbd8c4f3372ffee303c561281eed4a1be36b1ce3c5b0
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F
| 44 |
20,892 | 100,185 | 162,333 |
[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([F:11])[C:3]=1[C:4](Cl)=[O:5].[NH2:12][C:13]1[S:14][C:15]2[CH:21]=[C:20]([C:22]([F:25])([F:24])[F:23])[CH:19]=[CH:18][C:16]=2[N:17]=1>CN(C)C1C=CN=CC=1.N1C=CC=CC=1>[F:25][C:22]([F:23])([F:24])[C:20]1[CH:19]=[CH:18][C:16]2[N:17]=[C:13]([NH:12][C:4](=[O:5])[C:3]3[C:7]([F:11])=[CH:8][CH:9]=[CH:10][C:2]=3[Cl:1])[S:14][C:15]=2[CH:21]=1
| null |
US04675331_
| 1,987 |
CN(C)c1ccncc1.Cl[C:2](=[O:1])[c:17]1[c:18]([F:19])[cH:20][cH:21][cH:22][c:23]1[Cl:24].[NH2:3][c:4]1[n:5][c:6]2[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]2[s:16]1.c1ccncc1>>[O:1]=[C:2]([NH:3][c:4]1[n:5][c:6]2[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]2[s:16]1)[c:17]1[c:18]([F:19])[cH:20][cH:21][cH:22][c:23]1[Cl:24]
| 0.264334 |
CN(C)c1ccncc1.Nc1nc2ccc(C(F)(F)F)cc2s1.O=C(Cl)c1c(F)cccc1Cl.c1ccncc1>>O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)c1c(F)cccc1Cl
|
CN(C)c1ccncc1.Nc1nc2ccc(C(F)(F)F)cc2s1.O=C(Cl)c1c(F)cccc1Cl.c1ccncc1>>O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)c1c(F)cccc1Cl
|
US04675331_grants
|
75c3e3005a9acf03a19977ad4af93b39f72e509732aee5241a407475
|
CN(C)c1ccncc1.Cl[C:2](=[O:1])[c:17]1[c:18]([F:19])[cH:20][cH:21][cH:22][c:23]1[Cl:24].[NH2:3][c:4]1[n:5][c:6]2[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]2[s:16]1.c1ccncc1
|
[O:1]=[C:2]([NH:3][c:4]1[n:5][c:6]2[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][c:15]2[s:16]1)[c:17]1[c:18]([F:19])[cH:20][cH:21][cH:22][c:23]1[Cl:24]
|
([#16;a:4]:[c:5](:[#7;a:6])-[NH;D2;+0:7]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(Cl-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([#16;a:4]:[c:5](:[#7;a:6])-[NH2;D1;+0:7])
|
a813c37ea4f3c2de0a7a7c92b82ed0745f05d3b271f39a6c53d90555
| 1 | 1 |
CN(C)c1ccncc1.c1ccncc1
| 673 |
55,789 | 239,402 | 402,107 |
[Na].F[C:3]1[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[CH:5][CH:4]=1.O.[F:13][C:14]([F:18])([F:17])[CH2:15][OH:16]>>[F:13][C:14]([F:18])([F:17])[CH2:15][O:16][C:3]1[CH:8]=[CH:7][C:6]([N+:9]([O-:11])=[O:10])=[CH:5][CH:4]=1
|
|^1:0|
|
US05733481_
| 1,998 |
F[c:7]1[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:15][cH:14]1.O.[Na].[OH:8][CH2:9][C:10]([F:11])([F:12])[F:13]>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1
| 0.28837 |
O.O=[N+]([O-])c1ccc(F)cc1.OCC(F)(F)F.[Na]>>O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1
|
O.O=[N+]([O-])c1ccc(F)cc1.OCC(F)(F)F.[Na]>>O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1
|
US05733481_grants
|
44becfa371dd452fe13cb4a4bc9a76b9a5295479b3131ba907dfc8f6
|
F[c:7]1[cH:6][cH:5][c:4]([N+:2](=[O:1])[O-:3])[cH:15][cH:14]1.O.[Na].[OH:8][CH2:9][C:10]([F:11])([F:12])[F:13]
|
[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1
|
([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 |
O.[Na]
| 485 |
253,620 | 840,777 | 1,397,422 |
[Cl:1][C:2]1[C:3]([F:12])=[CH:4][C:5]([F:11])=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8].Cl.[CH3:14]O>>[Cl:1][C:2]1[C:3]([F:12])=[CH:4][C:5]([F:11])=[C:6]([CH:10]=1)[C:7]([O:9][CH3:14])=[O:8]
| null |
US08592629B2_0626
| 2,013 |
Cl.O[C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([F:10])[cH:11][c:12]1[F:13].[CH3:1][OH:2]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([F:10])[cH:11][c:12]1[F:13]
| 0.639473 |
CO.Cl.O=C(O)c1cc(Cl)c(F)cc1F>>COC(=O)c1cc(Cl)c(F)cc1F
|
CO.Cl.O=C(O)c1cc(Cl)c(F)cc1F>>COC(=O)c1cc(Cl)c(F)cc1F
|
US08592629B2_0626grants
|
3ea34942ac9ac13985673640aef741a7c66de2f2d6590e79f74346f4
|
Cl.O[C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([F:10])[cH:11][c:12]1[F:13].[CH3:1][OH:2]
|
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([F:10])[cH:11][c:12]1[F:13]
|
([C;D1;H3:4]-[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;D1;H3:4]-[OH;D1;+0:5])
|
462ff262701550e8361ae350b730fe337624136bbbc825e08432a1b4
| 1 | 1 |
Cl
| 33 |
44,085 | 194,057 | 312,851 |
[Cl:1][S:2]([OH:5])(=O)=[O:3].[NH2:6][C:7]1[NH:16][C:15](=[O:17])[C:14]2[C:13]3[CH:18]=[CH:19][CH:20]=[CH:21][C:12]=3[CH2:11][CH2:10][C:9]=2[N:8]=1>>[NH2:6][C:7]1[NH:16][C:15](=[O:17])[C:14]2[C:13]3[CH:18]=[CH:19][C:20]([S:2]([Cl:1])(=[O:5])=[O:3])=[CH:21][C:12]=3[CH2:11][CH2:10][C:9]=2[N:8]=1
| null |
US05405851_
| 1,995 |
O=[S:13]([OH:14])(=[O:15])[Cl:16].[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6](=[O:7])[nH:8]1)-[c:9]1[cH:10][cH:11][cH:12][cH:17][c:18]1[CH2:19][CH2:20]2>>[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6](=[O:7])[nH:8]1)-[c:9]1[cH:10][cH:11][c:12]([S:13](=[O:14])(=[O:15])[Cl:16])[cH:17][c:18]1[CH2:19][CH2:20]2
| 0.198045 |
Nc1nc2c(c(=O)[nH]1)-c1ccccc1CC2.O=S(=O)(O)Cl>>Nc1nc2c(c(=O)[nH]1)-c1ccc(S(=O)(=O)Cl)cc1CC2
|
Nc1nc2c(c(=O)[nH]1)-c1ccccc1CC2.O=S(=O)(O)Cl>>Nc1nc2c(c(=O)[nH]1)-c1ccc(S(=O)(=O)Cl)cc1CC2
|
US05405851_grants
|
7c0410dc241e46df8ed61f76491cdd869de40d217106e46259c69724
|
O=[S:13]([OH:14])(=[O:15])[Cl:16].[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6](=[O:7])[nH:8]1)-[c:9]1[cH:10][cH:11][cH:12][cH:17][c:18]1[CH2:19][CH2:20]2
|
[NH2:1][c:2]1[n:3][c:4]2[c:5]([c:6](=[O:7])[nH:8]1)-[c:9]1[cH:10][cH:11][c:12]([S:13](=[O:14])(=[O:15])[Cl:16])[cH:17][c:18]1[CH2:19][CH2:20]2
|
([Cl;D1;H0:2]-[S;H0;D4;+0:1](=[O;D1;H0:3])(=[O;H0;D1;+0:4])-[c;H0;D3;+0:6](:[c:5]):[c:7])>>(O=[S;H0;D4;+0:1](-[Cl;D1;H0:2])(=[O;D1;H0:3])-[OH;D1;+0:4]).([c:5]:[cH;D2;+0:6]:[c:7])
|
58b71cc08d38df9a74530fa5a6963c158affc8cd3de03579d92c3dc5
| 1 | 1 | null | 182 |
157,332 | 558,131 | 932,168 |
[NH2:1][C:2]1[N:7]=[C:6]([C:8]([OH:10])=O)[CH:5]=[CH:4][CH:3]=1.C(Cl)CCl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C.Cl.[NH2:35][C@H:36]([CH:55]([CH3:57])[CH3:56])[C:37]([N:39]1[CH2:44][CH2:43][C@@:42]([C:46]2[CH:51]=[CH:50][C:49]([Cl:52])=[CH:48][CH:47]=2)([OH:45])[C:41]([CH3:54])([CH3:53])[CH2:40]1)=[O:38]>CN(C=O)C>[NH2:1][C:2]1[N:7]=[C:6]([C:8]([NH:35][C@H:36]([CH:55]([CH3:57])[CH3:56])[C:37]([N:39]2[CH2:44][CH2:43][C@@:42]([C:46]3[CH:47]=[CH:48][C:49]([Cl:52])=[CH:50][CH:51]=3)([OH:45])[C:41]([CH3:53])([CH3:54])[CH2:40]2)=[O:38])=[O:10])[CH:5]=[CH:4][CH:3]=1
|
|f:4.5|
|
US07601844B2_1300
| 2,009 |
CCN(C(C)C)C(C)C.CN(C)C=O.Cl.ClCCCl.O[C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][c:12]([NH2:13])[n:14]1.On1nnc2ccccc21.[CH3:1][CH:2]([CH3:3])[C@@H:4]([NH2:5])[C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C@:20]([OH:21])([c:22]2[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]2)[C:29]([CH3:30])([CH3:31])[CH2:32]1>>[CH3:1][CH:2]([CH3:3])[C@@H:4]([NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][c:12]([NH2:13])[n:14]1)[C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C@:20]([OH:21])([c:22]2[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]2)[C:29]([CH3:30])([CH3:31])[CH2:32]1
| 0.522427 |
CC(C)[C@@H](N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1~Cl.CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.Nc1cccc(C(=O)O)n1.On1nnc2ccccc21>>CC(C)[C@@H](NC(=O)c1cccc(N)n1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
|
CC(C)[C@@H](N)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1.CCN(C(C)C)C(C)C.CN(C)C=O.Cl.ClCCCl.Nc1cccc(C(=O)O)n1.On1nnc2ccccc21>>CC(C)[C@@H](NC(=O)c1cccc(N)n1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
|
US07601844B2_1300grants
|
ee750aa69164e73d4c47979f3fd71ee731f94a3e4e29fe3534995b53
|
CCN(C(C)C)C(C)C.CN(C)C=O.Cl.ClCCCl.O[C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][c:12]([NH2:13])[n:14]1.On1nnc2ccccc21.[CH3:1][CH:2]([CH3:3])[C@@H:4]([NH2:5])[C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C@:20]([OH:21])([c:22]2[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]2)[C:29]([CH3:30])([CH3:31])[CH2:32]1
|
[CH3:1][CH:2]([CH3:3])[C@@H:4]([NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][c:12]([NH2:13])[n:14]1)[C:15](=[O:16])[N:17]1[CH2:18][CH2:19][C@:20]([OH:21])([c:22]2[cH:23][cH:24][c:25]([Cl:26])[cH:27][cH:28]2)[C:29]([CH3:30])([CH3:31])[CH2:32]1
|
([#7:5]-[C:6](=[O;D1;H0:7])-[C:8]-[NH;D2;+0:9]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#7;a:4])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[#7;a:4]).([#7:5]-[C:6](=[O;D1;H0:7])-[C:8]-[NH2;D1;+0:9])
|
546a55c3d78e1abfb45a6fd70c1258135f9210dbe24a516c25687c81
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C=O.Cl.ClCCCl.On1nnc2ccccc21
| 738 |
53,746 | 231,984 | 387,537 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH:9](O)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15].O=P12OP3(OP(OP(O3)(O1)=O)(=O)O2)=O>[Pd]>[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15]
| null |
US05683623_
| 1,997 |
O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.O[CH:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[c:8]1[cH:9][cH:10][cH:11][c:12]([F:13])[c:14]1[F:15].[Pd]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][c:12]([F:13])[c:14]1[F:15]
| 0.939888 |
CCCCCCC(O)c1cccc(F)c1F.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.[Pd]>>CCCCCCCc1cccc(F)c1F
|
CCCCCCC(O)c1cccc(F)c1F.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.[Pd]>>CCCCCCCc1cccc(F)c1F
|
US05683623_grants
|
81a0673c10960950e7da12530a4ca252033ee9e8be252f3839521a0a
|
O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.O[CH:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[c:8]1[cH:9][cH:10][cH:11][c:12]([F:13])[c:14]1[F:15].[Pd]
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][c:12]([F:13])[c:14]1[F:15]
|
([C:2]-[CH2;D2;+0:1]-[c:3])>>(O-[CH;D3;+0:1](-[C:2])-[c:3])
|
7493378c004854aefa59c0deb1b1b9ed3742681f6ca783d070ee704e
| 1 | 1 |
O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3.[Pd]
| 447 |
130,847 | 477,912 | 805,986 |
Br[CH2:2][CH:3]1[CH2:5][CH2:4]1.[Cl:6][C:7]1[C:8]2[CH:15]=[CH:14][NH:13][C:9]=2[N:10]=[CH:11][N:12]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C>[Cl:6][C:7]1[C:8]2[CH:15]=[CH:14][N:13]([CH2:2][CH:3]3[CH2:5][CH2:4]3)[C:9]=2[N:10]=[CH:11][N:12]=1
|
|f:2.3.4|
|
US07271262B2_0548
| 2,007 |
Br[CH2:11][CH:12]1[CH2:13][CH2:14]1.CN(C)C=O.O=C([O-])[O-].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:7]1[cH:8][cH:9][nH:10]2.[Cs+].[Cs+]>>[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:7]1[cH:8][cH:9][n:10]2[CH2:11][CH:12]1[CH2:13][CH2:14]1
| 0.962312 |
BrCC1CC1.CN(C)C=O.Clc1ncnc2[nH]ccc12.O=C([O-])[O-]~[Cs+]~[Cs+]>>Clc1ncnc2c1ccn2CC1CC1
|
BrCC1CC1.CN(C)C=O.Clc1ncnc2[nH]ccc12.O=C([O-])[O-].[Cs+].[Cs+]>>Clc1ncnc2c1ccn2CC1CC1
|
US07271262B2_0548grants
|
a67efd678a3fa2bb26453206275e1e61f7b854d9e522574c9ff9cfea
|
Br[CH2:11][CH:12]1[CH2:13][CH2:14]1.CN(C)C=O.O=C([O-])[O-].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:7]1[cH:8][cH:9][nH:10]2.[Cs+].[Cs+]
|
[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:7]1[cH:8][cH:9][n:10]2[CH2:11][CH:12]1[CH2:13][CH2:14]1
|
([#7;a:3]:[c:4]:[n;H0;D3;+0:5](:[c:6])-[CH2;D2;+0:1]-[C:2])>>(Br-[CH2;D2;+0:1]-[C:2]).([#7;a:3]:[c:4]:[nH;D2;+0:5]:[c:6])
|
3d3a5dfcf98f4af06ca5f681e43e435d0d9351afbe8c8af873fee756
| 1 | 1 |
CN(C)C=O.O=C([O-])[O-].[Cs+].[Cs+]
| 327 |
5,646 | 29,514 | 43,704 |
[F:1][C:2]1[CH:14]=[CH:13][C:5]([O:6][CH2:7][CH:8]([OH:12])[CH2:9][CH:10]=[CH2:11])=[CH:4][CH:3]=1.CCCCCC.[H-].[Na+].[CH2:23](Br)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>CN(C)C=O>[CH2:23]([O:12][CH:8]([CH2:7][O:6][C:5]1[CH:13]=[CH:14][C:2]([F:1])=[CH:3][CH:4]=1)[CH2:9][CH:10]=[CH2:11])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1
|
|f:2.3|
|
US04102888_
| 1,978 |
Br[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.CCCCCC.CN(C)C=O.[CH2:1]=[CH:2][CH2:3][CH:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]1)[OH:14].[H-].[Na+]>>[CH2:1]=[CH:2][CH2:3][CH:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]1)[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1
| 0.916919 |
BrCc1ccccc1.C=CCC(O)COc1ccc(F)cc1.CCCCCC.CN(C)C=O.[H-]~[Na+]>>C=CCC(COc1ccc(F)cc1)OCc1ccccc1
|
BrCc1ccccc1.C=CCC(O)COc1ccc(F)cc1.CCCCCC.CN(C)C=O.[H-].[Na+]>>C=CCC(COc1ccc(F)cc1)OCc1ccccc1
|
US04102888_grants
|
9d54a44d657c484f62930e188d370c211f2f4ffcead65da3764d3d2f
|
Br[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.CCCCCC.CN(C)C=O.[CH2:1]=[CH:2][CH2:3][CH:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]1)[OH:14].[H-].[Na+]
|
[CH2:1]=[CH:2][CH2:3][CH:4]([CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]1)[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]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
| 1 | 1 |
CCCCCC.CN(C)C=O.[H-].[Na+]
| 464 |
255,782 | 847,086 | 1,409,562 |
[C:1]1([CH3:26])[CH:6]=[CH:5][C:4]([N:7]2[C:11]([NH:12][C:13](=[O:21])OC3C=CC=CC=3)=[CH:10][C:9]([C:22]([F:25])([F:24])[F:23])=[N:8]2)=[CH:3][CH:2]=1.[CH3:27][O:28][C:29]1[CH:30]=[C:31]2[C:36](=[CH:37][C:38]=1[O:39][CH3:40])[N:35]=[CH:34][N:33]=[C:32]2[S:41][C:42]1[CH:43]=[C:44]([CH:46]=[CH:47][CH:48]=1)[NH2:45]>CN(C)C1C=CN=CC=1.C1COCC1>[CH3:27][O:28][C:29]1[CH:30]=[C:31]2[C:36](=[CH:37][C:38]=1[O:39][CH3:40])[N:35]=[CH:34][N:33]=[C:32]2[S:41][C:42]1[CH:43]=[C:44]([NH:45][C:13]([NH:12][C:11]2[N:7]([C:4]3[CH:3]=[CH:2][C:1]([CH3:26])=[CH:6][CH:5]=3)[N:8]=[C:9]([C:22]([F:23])([F:24])[F:25])[CH:10]=2)=[O:21])[CH:46]=[CH:47][CH:48]=1
| null |
US08618289B2_1271
| 2,013 |
C1CCOC1.CN(C)c1ccncc1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([S:10][c:11]3[cH:12][cH:13][cH:14][c:15]([NH2:16])[cH:36]3)[c:37]2[cH:38][c:39]1[O:40][CH3:41].c1ccc(O[C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[n:27][n:28]2-[c:29]2[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]2)cc1>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([S:10][c:11]3[cH:12][cH:13][cH:14][c:15]([NH:16][C:17](=[O:18])[NH:19][c:20]4[cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[n:27][n:28]4-[c:29]4[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]4)[cH:36]3)[c:37]2[cH:38][c:39]1[O:40][CH3:41]
| 0.292189 |
C1CCOC1.CN(C)c1ccncc1.COc1cc2ncnc(Sc3cccc(N)c3)c2cc1OC.Cc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Oc2ccccc2)cc1>>COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccc(C)cc4)c3)c2cc1OC
|
C1CCOC1.CN(C)c1ccncc1.COc1cc2ncnc(Sc3cccc(N)c3)c2cc1OC.Cc1ccc(-n2nc(C(F)(F)F)cc2NC(=O)Oc2ccccc2)cc1>>COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(F)(F)F)nn4-c4ccc(C)cc4)c3)c2cc1OC
|
US08618289B2_1271grants
|
8aae2b48259fa56e3032f40950afcd0b3b4cd686214a7da2bd066d96
|
C1CCOC1.CN(C)c1ccncc1.[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([S:10][c:11]3[cH:12][cH:13][cH:14][c:15]([NH2:16])[cH:36]3)[c:37]2[cH:38][c:39]1[O:40][CH3:41].c1ccc(O[C:17](=[O:18])[NH:19][c:20]2[cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[n:27][n:28]2-[c:29]2[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]2)cc1
|
[CH3:1][O:2][c:3]1[cH:4][c:5]2[n:6][cH:7][n:8][c:9]([S:10][c:11]3[cH:12][cH:13][cH:14][c:15]([NH:16][C:17](=[O:18])[NH:19][c:20]4[cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[n:27][n:28]4-[c:29]4[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]4)[cH:36]3)[c:37]2[cH:38][c:39]1[O:40][CH3:41]
|
([#7:1]-[C;H0;D3;+0:2](=[O;D1;H0:3])-[NH;D2;+0:4]-[c:5])>>([#7:1]-[C;H0;D3;+0:2](=[O;D1;H0:3])-O-c1:c:c:c:c:c:1).([NH2;D1;+0:4]-[c:5])
|
1729e407256668abd9f8f8942cde533cf5d2c135886498a774bf5ebc
| 0.5 | 2 |
C1CCOC1.CN(C)c1ccncc1
| 948 |
220,129 | 739,360 | 1,218,236 |
[CH3:1][C:2]1[C:6]([B:7]2[O:11][C:10]([CH3:13])([CH3:12])[C:9]([CH3:15])([CH3:14])[O:8]2)=[C:5]([CH3:16])[NH:4][N:3]=1.[H-].[Na+].Cl[CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25]>C1COCC1>[CH3:1][C:2]1[C:6]([B:7]2[O:11][C:10]([CH3:12])([CH3:13])[C:9]([CH3:15])([CH3:14])[O:8]2)=[C:5]([CH3:16])[N:4]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[N:3]=1
|
|f:1.2|
|
US08242116B2_0390
| 2,012 |
C1CCOC1.Cl[CH2:5][O:6][CH2:7][CH2:8][Si:9]([CH3:10])([CH3:11])[CH3:12].[CH3:1][c:2]1[n:3][nH:4][c:13]([CH3:14])[c:15]1[B:16]1[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]1.[H-].[Na+]>>[CH3:1][c:2]1[n:3][n:4]([CH2:5][O:6][CH2:7][CH2:8][Si:9]([CH3:10])([CH3:11])[CH3:12])[c:13]([CH3:14])[c:15]1[B:16]1[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]1
| 0.181385 |
C1CCOC1.C[Si](C)(C)CCOCCl.Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1.[H-]~[Na+]>>Cc1nn(COCC[Si](C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1
|
C1CCOC1.C[Si](C)(C)CCOCCl.Cc1n[nH]c(C)c1B1OC(C)(C)C(C)(C)O1.[H-].[Na+]>>Cc1nn(COCC[Si](C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1
|
US08242116B2_0390grants
|
ea2b877a97eb6ee5996f1d90a3b77055732ab067311875bfab80f6a5
|
C1CCOC1.Cl[CH2:5][O:6][CH2:7][CH2:8][Si:9]([CH3:10])([CH3:11])[CH3:12].[CH3:1][c:2]1[n:3][nH:4][c:13]([CH3:14])[c:15]1[B:16]1[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]1.[H-].[Na+]
|
[CH3:1][c:2]1[n:3][n:4]([CH2:5][O:6][CH2:7][CH2:8][Si:9]([CH3:10])([CH3:11])[CH3:12])[c:13]([CH3:14])[c:15]1[B:16]1[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]1
|
([#7;a:3]:[n;H0;D3;+0:4](:[c:5])-[CH2;D2;+0:1]-[#8:2])>>(Cl-[CH2;D2;+0:1]-[#8:2]).([#7;a:3]:[nH;D2;+0:4]:[c:5])
|
6d8c5e36bee39463b265e85fcea9b253d3ef6cff785f7e9fa4790088
| 1 | 1 |
C1CCOC1.[H-].[Na+]
| 910 |
165,031 | 581,141 | 966,886 |
Cl[C:2]1[CH:11]=[N:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([O:12][CH3:13])[CH:8]=2)[N:3]=1.[C:14]([C:18]1[CH:19]=[C:20]([CH:22]=[CH:23][CH:24]=1)[NH2:21])([CH3:17])([CH3:16])[CH3:15]>C(O)C>[C:14]([C:18]1[CH:19]=[C:20]([NH:21][C:2]2[CH:11]=[N:10][C:9]3[C:4](=[CH:5][CH:6]=[C:7]([O:12][CH3:13])[CH:8]=3)[N:3]=2)[CH:22]=[CH:23][CH:24]=1)([CH3:17])([CH3:15])[CH3:16]
| null |
US07691866B2_0228
| 2,010 |
CCO.Cl[c:8]1[n:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:23][c:22]2[n:21][cH:20]1.[NH2:9][c:10]1[cH:11][cH:12][cH:13][c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19]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][cH:13][c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19]3)[cH:20][n:21][c:22]2[cH:23]1
| 0.511032 |
CC(C)(C)c1cccc(N)c1.CCO.COc1ccc2nc(Cl)cnc2c1>>COc1ccc2nc(Nc3cccc(C(C)(C)C)c3)cnc2c1
|
CC(C)(C)c1cccc(N)c1.CCO.COc1ccc2nc(Cl)cnc2c1>>COc1ccc2nc(Nc3cccc(C(C)(C)C)c3)cnc2c1
|
US07691866B2_0228grants
|
40eef39859e9dcda7f3de92b5e88a793a051022948d53a4604d0454c
|
CCO.Cl[c:8]1[n:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:23][c:22]2[n:21][cH:20]1.[NH2:9][c:10]1[cH:11][cH:12][cH:13][c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19]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][cH:13][c:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19]3)[cH:20][n:21][c:22]2[cH:23]1
|
([#7;a:4]:[c:3]:[c;H0;D3;+0:1](:[#7;a:2])-[NH;D2;+0:5]-[c:6])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]:[#7;a:4]).([NH2;D1;+0:5]-[c:6])
|
36b1cc1de136605853d86aa1f7400418501bb348077035513b1fe869
| 1 | 1 |
CCO
| 780 |
220,771 | 741,464 | 1,221,462 |
[O:1]=[C:2]1[N:10]([CH2:11][CH2:12][CH3:13])[C:9]2[N:8]=[C:7]([C:14]3[CH:15]=[N:16][N:17]([CH2:19][C:20](Cl)=[O:21])[CH:18]=3)[NH:6][C:5]=2[C:4](=[O:23])[N:3]1[CH2:24][CH2:25][CH3:26].[F:27][C:28]([F:42])([F:41])[C:29]1[CH:30]=[C:31]([N:35]2[CH2:40][CH2:39][NH:38][CH2:37][CH2:36]2)[CH:32]=[CH:33][CH:34]=1>C1COCC1>[O:21]=[C:20]([N:38]1[CH2:37][CH2:36][N:35]([C:31]2[CH:32]=[CH:33][CH:34]=[C:29]([C:28]([F:41])([F:42])[F:27])[CH:30]=2)[CH2:40][CH2:39]1)[CH2:19][N:17]1[CH:18]=[C:14]([C:7]2[NH:6][C:5]3[C:4](=[O:23])[N:3]([CH2:24][CH2:25][CH3:26])[C:2](=[O:1])[N:10]([CH2:11][CH2:12][CH3:13])[C:9]=3[N:8]=2)[CH:15]=[N:16]1
| null |
US08252797B2_0654
| 2,012 |
C1CCOC1.Cl[C:15]([CH2:14][n:13]1[n:12][cH:11][c:10](-[c:9]2[nH:8][c:7]3[c:5](=[O:6])[n:4]([CH2:3][CH2:2][CH3:1])[c:40](=[O:41])[n:36]([CH2:37][CH2:38][CH3:39])[c:35]3[n:34]2)[cH:33]1)=[O:16].[NH:17]1[CH2:18][CH2:19][N:20]([c:21]2[cH:22][cH:23][cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]2)[CH2:31][CH2:32]1>>[CH3:1][CH2:2][CH2:3][n:4]1[c:5](=[O:6])[c:7]2[nH:8][c:9](-[c:10]3[cH:11][n:12][n:13]([CH2:14][C:15](=[O:16])[N:17]4[CH2:18][CH2:19][N:20]([c:21]5[cH:22][cH:23][cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]5)[CH2:31][CH2:32]4)[cH:33]3)[n:34][c:35]2[n:36]([CH2:37][CH2:38][CH3:39])[c:40]1=[O:41]
| 0.277734 |
C1CCOC1.CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)Cl)c3)nc2n(CCC)c1=O.FC(F)(F)c1cccc(N2CCNCC2)c1>>CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O
|
C1CCOC1.CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)Cl)c3)nc2n(CCC)c1=O.FC(F)(F)c1cccc(N2CCNCC2)c1>>CCCn1c(=O)c2[nH]c(-c3cnn(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)nc2n(CCC)c1=O
|
US08252797B2_0654grants
|
18bfc115c57084f7c60bc310c070d49b1844aea1360ce1f0d2851bd5
|
C1CCOC1.Cl[C:15]([CH2:14][n:13]1[n:12][cH:11][c:10](-[c:9]2[nH:8][c:7]3[c:5](=[O:6])[n:4]([CH2:3][CH2:2][CH3:1])[c:40](=[O:41])[n:36]([CH2:37][CH2:38][CH3:39])[c:35]3[n:34]2)[cH:33]1)=[O:16].[NH:17]1[CH2:18][CH2:19][N:20]([c:21]2[cH:22][cH:23][cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]2)[CH2:31][CH2:32]1
|
[CH3:1][CH2:2][CH2:3][n:4]1[c:5](=[O:6])[c:7]2[nH:8][c:9](-[c:10]3[cH:11][n:12][n:13]([CH2:14][C:15](=[O:16])[N:17]4[CH2:18][CH2:19][N:20]([c:21]5[cH:22][cH:23][cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30]5)[CH2:31][CH2:32]4)[cH:33]3)[n:34][c:35]2[n:36]([CH2:37][CH2:38][CH3:39])[c:40]1=[O:41]
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
58bfc612ddb3c3923670b0fade9423da56792769e45e6b088debac9e
| 1 | 1 |
C1CCOC1
| 125 |
61,725 | 260,697 | 441,212 |
[NH2:1][C:2]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].S(=O)(=O)(O)O.[CH3:19]O>>[NH2:1][C:2]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4]([O:6][CH3:19])=[O:5]
| null |
US05922646_
| 1,999 |
O=S(=O)(O)O.O[C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][c:13]1[NH2:14].[CH3:1][OH:2]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][c:13]1[NH2:14]
| 0.705171 |
CO.Nc1cc([N+](=O)[O-])ccc1C(=O)O.O=S(=O)(O)O>>COC(=O)c1ccc([N+](=O)[O-])cc1N
|
CO.Nc1cc([N+](=O)[O-])ccc1C(=O)O.O=S(=O)(O)O>>COC(=O)c1ccc([N+](=O)[O-])cc1N
|
US05922646_grants
|
7de78634e3b91ebadedfb421464c01869dc8b242df395a06414dfc25
|
O=S(=O)(O)O.O[C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][c:13]1[NH2:14].[CH3:1][OH:2]
|
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][c:13]1[NH2:14]
|
([C;D1;H3:4]-[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;D1;H3:4]-[OH;D1;+0:5])
|
462ff262701550e8361ae350b730fe337624136bbbc825e08432a1b4
| 1 | 1 |
O=S(=O)(O)O
| 33 |
6,881 | 35,298 | 54,353 |
[CH2:1]([N:8]1[CH2:13][CH2:12][C:11](=O)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl-].[CH3:16][O:17][NH3+:18]>>[CH2:1]([N:8]1[CH2:13][CH2:12][C:11](=[N:18][O:17][CH3:16])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
|
|f:1.2|
|
US04147786_
| 1,979 |
O=[C:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16]1.[CH3:1][O:2][NH3+:3].[Cl-]>>[CH3:1][O:2][N:3]=[C:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16]1
| 0.836086 |
CO[NH3+]~[Cl-].O=C1CCN(Cc2ccccc2)CC1>>CON=C1CCN(Cc2ccccc2)CC1
|
CO[NH3+].O=C1CCN(Cc2ccccc2)CC1.[Cl-]>>CON=C1CCN(Cc2ccccc2)CC1
|
US04147786_grants
|
cbaa2392d47a871592935865ab00f575147330342bed9f767d306842
|
O=[C:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16]1.[CH3:1][O:2][NH3+:3].[Cl-]
|
[CH3:1][O:2][N:3]=[C:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16]1
|
([#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:1](-[C:2])-[C:3])>>(O=[C;H0;D3;+0:1](-[C:2])-[C:3]).([#8:4]-[NH3+;D1:5])
|
7abd166054b33d08eaac11fe7b0162caf09599bf51bcbf598d37f286
| 1 | 1 |
[Cl-]
| 86 |
193,584 | 665,488 | 1,100,528 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[CH:20]=[CH:19][C:18]([C:21]4[CH:22]=[C:23]([CH:27]=[CH:28][C:29]=4[CH3:30])[C:24]([OH:26])=O)=[CH:17][C:11]=3[C:12]=2[C:13](=[O:16])[NH:14][CH3:15])=[CH:4][CH:3]=1.[CH3:31][N:32]1[CH:36]=[C:35]([C:37]2([NH2:40])[CH2:39][CH2:38]2)[N:34]=[CH:33]1.CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1>ClCCl.O>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]3[CH:20]=[CH:19][C:18]([C:21]4[CH:22]=[C:23]([C:24](=[O:26])[NH:40][C:37]5([C:35]6[N:34]=[CH:33][N:32]([CH3:31])[CH:36]=6)[CH2:39][CH2:38]5)[CH:27]=[CH:28][C:29]=4[CH3:30])=[CH:17][C:11]=3[C:12]=2[C:13]([NH:14][CH3:15])=[O:16])=[CH:4][CH:3]=1
|
|f:2.3|
|
US07994171B2_1787
| 2,011 |
CCN=C=NCCCN(C)C.Cl.ClCCl.O.O[C:22]([c:21]1[cH:20][c:19](-[c:18]2[cH:17][cH:16][c:15]3[o:14][c:6](-[c:7]4[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]4)[c:5]([C:3]([NH:2][CH3:1])=[O:4])[c:39]3[cH:38]2)[c:36]([CH3:37])[cH:35][cH:34]1)=[O:23].On1nnc2ccccc21.[NH2:24][C:25]1([c:26]2[cH:27][n:28]([CH3:29])[cH:30][n:31]2)[CH2:32][CH2:33]1>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][cH:17][c:18](-[c:19]3[cH:20][c:21]([C:22](=[O:23])[NH:24][C:25]4([c:26]5[cH:27][n:28]([CH3:29])[cH:30][n:31]5)[CH2:32][CH2:33]4)[cH:34][cH:35][c:36]3[CH3:37])[cH:38][c:39]12
| 0.807532 |
CCN=C=NCCCN(C)C~Cl.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)ccc3C)cc12.ClCCl.Cn1cnc(C2(N)CC2)c1.O.On1nnc2ccccc21>>CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5cn(C)cn5)CC4)ccc3C)cc12
|
CCN=C=NCCCN(C)C.CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)ccc3C)cc12.Cl.ClCCl.Cn1cnc(C2(N)CC2)c1.O.On1nnc2ccccc21>>CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5cn(C)cn5)CC4)ccc3C)cc12
|
US07994171B2_1787grants
|
1db4df79be3b92f9839e2b7086487383e236de6996c0b4673e756fe7
|
CCN=C=NCCCN(C)C.Cl.ClCCl.O.O[C:22]([c:21]1[cH:20][c:19](-[c:18]2[cH:17][cH:16][c:15]3[o:14][c:6](-[c:7]4[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]4)[c:5]([C:3]([NH:2][CH3:1])=[O:4])[c:39]3[cH:38]2)[c:36]([CH3:37])[cH:35][cH:34]1)=[O:23].On1nnc2ccccc21.[NH2:24][C:25]1([c:26]2[cH:27][n:28]([CH3:29])[cH:30][n:31]2)[CH2:32][CH2:33]1
|
[CH3:1][NH:2][C:3](=[O:4])[c:5]1[c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[o:14][c:15]2[cH:16][cH:17][c:18](-[c:19]3[cH:20][c:21]([C:22](=[O:23])[NH:24][C:25]4([c:26]5[cH:27][n:28]([CH3:29])[cH:30][n:31]5)[CH2:32][CH2:33]4)[cH:34][cH:35][c:36]3[CH3:37])[cH:38][c:39]12
|
([C:4]-[NH;D2;+0:5]-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH2;D1;+0:5])
|
4b62c30a3b92b9941a5ddfdb3fbb597241af09409f8fb78aee5317d4
| 0.5 | 2 |
CCN=C=NCCCN(C)C.Cl.ClCCl.O.On1nnc2ccccc21
| 334 |
33,008 | 150,713 | 242,038 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=1.[Br:12]Br>C(O)(=O)C>[Br:12][C:7]1[C:5]([NH2:6])=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=[C:2]([Cl:1])[CH:8]=1
| null |
US05071995_
| 1,991 |
Br[Br:4].CC(=O)O.[NH2:1][c:2]1[cH:3][cH:5][c:6]([Cl:7])[cH:8][c:9]1[N+:10](=[O:11])[O-:12]>>[NH2:1][c:2]1[c:3]([Br:4])[cH:5][c:6]([Cl:7])[cH:8][c:9]1[N+:10](=[O:11])[O-:12]
| 0.493514 |
BrBr.CC(=O)O.Nc1ccc(Cl)cc1[N+](=O)[O-]>>Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]
|
BrBr.CC(=O)O.Nc1ccc(Cl)cc1[N+](=O)[O-]>>Nc1c(Br)cc(Cl)cc1[N+](=O)[O-]
|
US05071995_grants
|
0cb2aa6590c7a4efb7c48f09c64fde2f0db24e2d72e9f321b4088e2a
|
Br[Br:4].CC(=O)O.[NH2:1][c:2]1[cH:3][cH:5][c:6]([Cl:7])[cH:8][c:9]1[N+:10](=[O:11])[O-:12]
|
[NH2:1][c:2]1[c:3]([Br:4])[cH:5][c:6]([Cl:7])[cH:8][c:9]1[N+:10](=[O:11])[O-:12]
|
([Br;H0;D1;+0:1]-[c;H0;D3;+0:3](:[c:2]):[c:4])>>(Br-[Br;H0;D1;+0:1]).([c:2]:[cH;D2;+0:3]:[c:4])
|
d6d40ee9982f41488f9d4f37bc30409025fbbda89ae319dea876f903
| 1 | 1 |
CC(=O)O
| 98 |
186,835 | 645,561 | 1,067,612 |
[F:1][C:2]([F:29])([C:15]1[CH:16]=[C:17]2[C:22](=[CH:23][CH:24]=1)[C:21]([CH3:26])([CH3:25])[CH2:20][CH2:19][C:18]2([CH3:28])[CH3:27])[C:3]([NH:5][C:6]1[CH:7]=[C:8]([CH:12]=[CH:13][CH:14]=1)[C:9](O)=[O:10])=[O:4].Cl.[NH2:31][OH:32].O.CCN(CC)CC>O=S(Cl)Cl.CN(C=O)C.C1COCC1>[F:29][C:2]([F:1])([C:15]1[CH:16]=[C:17]2[C:22]([C:21]([CH3:25])([CH3:26])[CH2:20][CH2:19][C:18]2([CH3:27])[CH3:28])=[CH:23][CH:24]=1)[C:3]([NH:5][C:6]1[CH:7]=[C:8]([CH:12]=[CH:13][CH:14]=1)[C:9]([NH:31][OH:32])=[O:10])=[O:4]
|
|f:1.2|
|
US07923579B2_0314
| 2,011 |
C1CCOC1.CCN(CC)CC.CN(C)C=O.Cl.O.O=S(Cl)Cl.O[C:23]([c:22]1[cH:21][cH:20][cH:19][c:18]([NH:17][C:15]([C:12]([c:11]2[cH:10][c:9]3[c:30]([cH:29][cH:28]2)[C:2]([CH3:1])([CH3:3])[CH2:4][CH2:5][C:6]3([CH3:7])[CH3:8])([F:13])[F:14])=[O:16])[cH:27]1)=[O:24].[NH2:25][OH:26]>>[CH3:1][C:2]1([CH3:3])[CH2:4][CH2:5][C:6]([CH3:7])([CH3:8])[c:9]2[cH:10][c:11]([C:12]([F:13])([F:14])[C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][OH:26])[cH:27]3)[cH:28][cH:29][c:30]21
| 0.473857 |
C1CCOC1.CC1(C)CCC(C)(C)c2cc(C(F)(F)C(=O)Nc3cccc(C(=O)O)c3)ccc21.CCN(CC)CC.CN(C)C=O.Cl~NO.O.O=S(Cl)Cl>>CC1(C)CCC(C)(C)c2cc(C(F)(F)C(=O)Nc3cccc(C(=O)NO)c3)ccc21
|
C1CCOC1.CC1(C)CCC(C)(C)c2cc(C(F)(F)C(=O)Nc3cccc(C(=O)O)c3)ccc21.CCN(CC)CC.CN(C)C=O.Cl.NO.O.O=S(Cl)Cl>>CC1(C)CCC(C)(C)c2cc(C(F)(F)C(=O)Nc3cccc(C(=O)NO)c3)ccc21
|
US07923579B2_0314grants
|
2a2c0ea2e22889274401f0273310de6f308e00ab1cdc84e1526a94c6
|
C1CCOC1.CCN(CC)CC.CN(C)C=O.Cl.O.O=S(Cl)Cl.O[C:23]([c:22]1[cH:21][cH:20][cH:19][c:18]([NH:17][C:15]([C:12]([c:11]2[cH:10][c:9]3[c:30]([cH:29][cH:28]2)[C:2]([CH3:1])([CH3:3])[CH2:4][CH2:5][C:6]3([CH3:7])[CH3:8])([F:13])[F:14])=[O:16])[cH:27]1)=[O:24].[NH2:25][OH:26]
|
[CH3:1][C:2]1([CH3:3])[CH2:4][CH2:5][C:6]([CH3:7])([CH3:8])[c:9]2[cH:10][c:11]([C:12]([F:13])([F:14])[C:15](=[O:16])[NH:17][c:18]3[cH:19][cH:20][cH:21][c:22]([C:23](=[O:24])[NH:25][OH:26])[cH:27]3)[cH:28][cH:29][c:30]21
|
([O;D1;H0:2]=[C;H0;D3;+0:1](-[c:3])-[NH;D2;+0:4]-[O;D1;H1:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([NH2;D1;+0:4]-[O;D1;H1:5])
|
f8a6e6d7b21c8e6492f58db3276042e510b8960f5e8ce3f4110c9fb4
| 1 | 1 |
C1CCOC1.CCN(CC)CC.CN(C)C=O.Cl.O.O=S(Cl)Cl
| 741 |
161,574 | 570,734 | 951,633 |
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[C:10]([NH:12][C:13]1[N:21]=[CH:20][CH:19]=[CH:18][C:14]=1[C:15](O)=[O:16])=[O:11].C(Cl)CCl.[NH3:26]>CN(C1C=CN=CC=1)C.ClCCl>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[C:10]([NH:12][C:13]1[N:21]=[CH:20][CH:19]=[CH:18][C:14]=1[C:15]([NH2:26])=[O:16])=[O:11]
| null |
US07648986B2_0206
| 2,010 |
CN(C)c1ccncc1.ClCCCl.ClCCl.O[C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][c:9]1[NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[s:21]1.[NH3:1]>>[NH2:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][c:9]1[NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[s:21]1
| 0.830176 |
CN(C)c1ccncc1.ClCCCl.ClCCl.N.O=C(Nc1ncccc1C(=O)O)c1cc2ccccc2s1>>NC(=O)c1cccnc1NC(=O)c1cc2ccccc2s1
|
CN(C)c1ccncc1.ClCCCl.ClCCl.N.O=C(Nc1ncccc1C(=O)O)c1cc2ccccc2s1>>NC(=O)c1cccnc1NC(=O)c1cc2ccccc2s1
|
US07648986B2_0206grants
|
74f773575bd6c068f39536cc60d43674f21ce5b838333d368695fca1
|
CN(C)c1ccncc1.ClCCCl.ClCCl.O[C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][c:9]1[NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[s:21]1.[NH3:1]
|
[NH2:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][n:8][c:9]1[NH:10][C:11](=[O:12])[c:13]1[cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[s:21]1
|
([#7;a:5]:[c:4]:[c:3]-[C;H0;D3;+0:1](-[NH2;D1;+0:6])=[O;D1;H0:2])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]:[c:4]:[#7;a:5]).([NH3;D0;+0:6])
|
546e371849d62cc09e6324a2b82757748f9ea5b388c2504469c76fed
| 1 | 1 |
CN(C)c1ccncc1.ClCCCl.ClCCl
| 704 |
274,031 | 898,801 | 1,499,285 |
[CH3:1][C:2]1([CH2:19][O:20][C:21]2[C:22]([C:27]([O:29]CC)=[O:28])=[N:23][CH:24]=[CH:25][CH:26]=2)[CH2:6][CH2:5][N:4]([C:7]([C@H:9]2[CH2:14][CH2:13][C@H:12]([C:15]([F:18])([F:17])[F:16])[CH2:11][CH2:10]2)=[O:8])[CH2:3]1.COC1C=C(OC[C@H]2CCCN2C([C@H]2CC[C@H](C(F)(F)F)CC2)=O)C(C(OCC)=O)=NC=1>>[CH3:1][C:2]1([CH2:19][O:20][C:21]2[C:22]([C:27]([OH:29])=[O:28])=[N:23][CH:24]=[CH:25][CH:26]=2)[CH2:6][CH2:5][N:4]([C:7]([C@H:9]2[CH2:10][CH2:11][C@H:12]([C:15]([F:18])([F:16])[F:17])[CH2:13][CH2:14]2)=[O:8])[CH2:3]1
| null |
US08809380B2_0724
| 2,014 |
CCOC(=O)c1ncc(OC)cc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1.CC[O:13][C:11]([c:10]1[c:5]([O:4][CH2:3][C:2]2([CH3:1])[CH2:14][CH2:15][N:16]([C:17](=[O:18])[C@H:19]3[CH2:20][CH2:21][C@H:22]([C:23]([F:24])([F:25])[F:26])[CH2:27][CH2:28]3)[CH2:29]2)[cH:6][cH:7][cH:8][n:9]1)=[O:12]>>[CH3:1][C:2]1([CH2:3][O:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[C:11](=[O:12])[OH:13])[CH2:14][CH2:15][N:16]([C:17](=[O:18])[C@H:19]2[CH2:20][CH2:21][C@H:22]([C:23]([F:24])([F:25])[F:26])[CH2:27][CH2:28]2)[CH2:29]1
| 0.252168 |
CCOC(=O)c1ncc(OC)cc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1.CCOC(=O)c1ncccc1OCC1(C)CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CC2)C1>>CC1(COc2cccnc2C(=O)O)CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CC2)C1
|
CCOC(=O)c1ncc(OC)cc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1.CCOC(=O)c1ncccc1OCC1(C)CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CC2)C1>>CC1(COc2cccnc2C(=O)O)CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)CC2)C1
|
US08809380B2_0724grants
|
83b8faa3343af2839cf7c1660bc541cdf62bdc1a96ecaf744b5e08e8
|
CCOC(=O)c1ncc(OC)cc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1.CC[O:13][C:11]([c:10]1[c:5]([O:4][CH2:3][C:2]2([CH3:1])[CH2:14][CH2:15][N:16]([C:17](=[O:18])[C@H:19]3[CH2:20][CH2:21][C@H:22]([C:23]([F:24])([F:25])[F:26])[CH2:27][CH2:28]3)[CH2:29]2)[cH:6][cH:7][cH:8][n:9]1)=[O:12]
|
[CH3:1][C:2]1([CH2:3][O:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]2[C:11](=[O:12])[OH:13])[CH2:14][CH2:15][N:16]([C:17](=[O:18])[C@H:19]2[CH2:20][CH2:21][C@H:22]([C:23]([F:24])([F:25])[F:26])[CH2:27][CH2:28]2)[CH2:29]1
|
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4])>>(C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4])
|
b8d35231a9d964a0bcde41cb860d8e6c4726c2823ff5946d3ed0c3c9
| 1 | 1 |
CCOC(=O)c1ncc(OC)cc1OC[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1
| 171 |
256,606 | 849,563 | 1,413,060 |
[C:1]1([C:7]2([CH2:10][C:11]([OH:13])=O)[CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(Cl)(=O)C(Cl)=O.CN(C=O)C.[NH2:25][N:26]1[N:35]=[C:34]([C:36]([F:39])([F:38])[F:37])[C:33]2[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=2)[C:27]1=[O:40]>ClCCl>[O:40]=[C:27]1[C:28]2[C:33](=[CH:32][CH:31]=[CH:30][CH:29]=2)[C:34]([C:36]([F:37])([F:39])[F:38])=[N:35][N:26]1[NH:25][C:11](=[O:13])[CH2:10][C:7]1([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[CH2:8][CH2:9]1
| null |
US08629143B2_0474
| 2,014 |
CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl.O[C:2](=[O:1])[CH2:3][C:4]1([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[CH2:11][CH2:12]1.[NH2:13][n:14]1[n:15][c:16]([C:17]([F:18])([F:19])[F:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[c:27]1=[O:28]>>[O:1]=[C:2]([CH2:3][C:4]1([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[CH2:11][CH2:12]1)[NH:13][n:14]1[n:15][c:16]([C:17]([F:18])([F:19])[F:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[c:27]1=[O:28]
| 0.255854 |
CN(C)C=O.ClCCl.Nn1nc(C(F)(F)F)c2ccccc2c1=O.O=C(Cl)C(=O)Cl.O=C(O)CC1(c2ccccc2)CC1>>O=C(CC1(c2ccccc2)CC1)Nn1nc(C(F)(F)F)c2ccccc2c1=O
|
CN(C)C=O.ClCCl.Nn1nc(C(F)(F)F)c2ccccc2c1=O.O=C(Cl)C(=O)Cl.O=C(O)CC1(c2ccccc2)CC1>>O=C(CC1(c2ccccc2)CC1)Nn1nc(C(F)(F)F)c2ccccc2c1=O
|
US08629143B2_0474grants
|
93bd99cedd6490d6d498ed6cd6b6ce17ab3942ed380b67a9724d4441
|
CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl.O[C:2](=[O:1])[CH2:3][C:4]1([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[CH2:11][CH2:12]1.[NH2:13][n:14]1[n:15][c:16]([C:17]([F:18])([F:19])[F:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[c:27]1=[O:28]
|
[O:1]=[C:2]([CH2:3][C:4]1([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[CH2:11][CH2:12]1)[NH:13][n:14]1[n:15][c:16]([C:17]([F:18])([F:19])[F:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[c:27]1=[O:28]
|
([#7;a: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]).([#7;a:4]-[NH2;D1;+0:5])
|
33dc3a0971fed901e3a7789f4aa6bd433bb05fb3a059caddb35a1346
| 1 | 1 |
CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl
| 459 |
179,064 | 622,713 | 1,032,283 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH:14][C:15](=[O:35])/[CH:16]=[CH:17]/[C:18]1[CH:22]=[CH:21][N:20]([S:23]([C:26]2[CH:31]=[CH:30][C:29]([N:32]([CH3:34])[CH3:33])=[CH:28][CH:27]=2)(=[O:25])=[O:24])[CH:19]=1)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[NH:14][C:15](=[O:35])/[CH:16]=[CH:17]/[C:18]1[CH:22]=[CH:21][N:20]([S:23]([C:26]2[CH:27]=[CH:28][C:29]([N:32]([CH3:33])[CH3:34])=[CH:30][CH:31]=2)(=[O:25])=[O:24])[CH:19]=1
| null |
US07842820B2_0609
| 2,010 |
CC(C)(C)OC(=O)[NH:26][c:25]1[c:20]([NH:19][C:17](/[CH:16]=[CH:15]/[c:14]2[cH:13][cH:12][n:11]([S:8]([c:7]3[cH:6][cH:5][c:4]([N:2]([CH3:1])[CH3:3])[cH:29][cH:28]3)(=[O:9])=[O:10])[cH:27]2)=[O:18])[cH:21][cH:22][cH:23][cH:24]1.ClCCl.O=C(O)C(F)(F)F>>[CH3:1][N:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([S:8](=[O:9])(=[O:10])[n:11]2[cH:12][cH:13][c:14](/[CH:15]=[CH:16]/[C:17](=[O:18])[NH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[NH2:26])[cH:27]2)[cH:28][cH:29]1
| 0.440531 |
CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)c2)cc1.ClCCl.O=C(O)C(F)(F)F>>CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Nc3ccccc3N)c2)cc1
|
CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Nc3ccccc3NC(=O)OC(C)(C)C)c2)cc1.ClCCl.O=C(O)C(F)(F)F>>CN(C)c1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)Nc3ccccc3N)c2)cc1
|
US07842820B2_0609grants
|
11e498f3c974b86dfb68458c34cee19e1699eab196f669c7d88e6c28
|
CC(C)(C)OC(=O)[NH:26][c:25]1[c:20]([NH:19][C:17](/[CH:16]=[CH:15]/[c:14]2[cH:13][cH:12][n:11]([S:8]([c:7]3[cH:6][cH:5][c:4]([N:2]([CH3:1])[CH3:3])[cH:29][cH:28]3)(=[O:9])=[O:10])[cH:27]2)=[O:18])[cH:21][cH:22][cH:23][cH:24]1.ClCCl.O=C(O)C(F)(F)F
|
[CH3:1][N:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([S:8](=[O:9])(=[O:10])[n:11]2[cH:12][cH:13][c:14](/[CH:15]=[CH:16]/[C:17](=[O:18])[NH:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]3[NH2:26])[cH:27]2)[cH:28][cH:29]1
|
([NH2;D1;+0:1]-[c:2])>>(C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[c:2])
|
5f978a847bba3863bf5fb6d96bfd1d3cace2da93615c40c010102dd5
| 1 | 1 |
ClCCl.O=C(O)C(F)(F)F
| 782 |
183,278 | 635,329 | 1,051,080 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].Cl.Cl.[CH3:8][C:9]1[N:22]=[C:21]([NH2:23])[C:12]2[N:13]=[C:14]3[CH2:20][NH:19][CH2:18][CH2:17][CH2:16][N:15]3[C:11]=2[C:10]=1[CH3:24].C(N(CC)CC)C>CN(C=O)C>[CH3:8][C:9]1[N:22]=[C:21]([NH2:23])[C:12]2[N:13]=[C:14]3[CH2:20][N:19]([S:2]([CH3:1])(=[O:4])=[O:3])[CH2:18][CH2:17][CH2:16][N:15]3[C:11]=2[C:10]=1[CH3:24]
|
|f:1.2.3|
|
US07888349B2_0732
| 2,011 |
CCN(CC)CC.CN(C)C=O.Cl.Cl.Cl[S:17]([CH3:18])(=[O:19])=[O:20].[CH3:1][c:2]1[n:3][c:4]([NH2:5])[c:6]2[n:7][c:8]3[n:9]([c:10]2[c:11]1[CH3:12])[CH2:13][CH2:14][CH2:15][NH:16][CH2:21]3>>[CH3:1][c:2]1[n:3][c:4]([NH2:5])[c:6]2[n:7][c:8]3[n:9]([c:10]2[c:11]1[CH3:12])[CH2:13][CH2:14][CH2:15][N:16]([S:17]([CH3:18])(=[O:19])=[O:20])[CH2:21]3
| 0.607792 |
CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.Cc1nc(N)c2nc3n(c2c1C)CCCNC3~Cl~Cl>>Cc1nc(N)c2nc3n(c2c1C)CCCN(S(C)(=O)=O)C3
|
CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.Cc1nc(N)c2nc3n(c2c1C)CCCNC3.Cl.Cl>>Cc1nc(N)c2nc3n(c2c1C)CCCN(S(C)(=O)=O)C3
|
US07888349B2_0732grants
|
366eb3fe3c79fe0ddd3627b41f4147a747797e5ad302ee3149e27cd3
|
CCN(CC)CC.CN(C)C=O.Cl.Cl.Cl[S:17]([CH3:18])(=[O:19])=[O:20].[CH3:1][c:2]1[n:3][c:4]([NH2:5])[c:6]2[n:7][c:8]3[n:9]([c:10]2[c:11]1[CH3:12])[CH2:13][CH2:14][CH2:15][NH:16][CH2:21]3
|
[CH3:1][c:2]1[n:3][c:4]([NH2:5])[c:6]2[n:7][c:8]3[n:9]([c:10]2[c:11]1[CH3:12])[CH2:13][CH2:14][CH2:15][N:16]([S:17]([CH3:18])(=[O:19])=[O:20])[CH2:21]3
|
([C:5]-[N;H0;D3;+0:6](-[C:7])-[S;H0;D4;+0:1](-[C;D1;H3:2])(=[O;D1;H0:3])=[O;D1;H0:4])>>(Cl-[S;H0;D4;+0:1](-[C;D1;H3:2])(=[O;D1;H0:3])=[O;D1;H0:4]).([C:5]-[NH;D2;+0:6]-[C:7])
|
9f2ab39da02b7f6989c7b19975a1f5a7b0a953933c6e2d89882f3818
| 1 | 1 |
CCN(CC)CC.CN(C)C=O.Cl.Cl
| 584 |
54,839 | 235,877 | 395,800 |
[CH3:1][C@@H:2]([NH:13][CH:14]1[CH2:19][CH2:18][C:17](=O)[CH2:16][CH2:15]1)[CH2:3][C:4]1[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][CH:5]=1.Cl.[Br:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][NH2:30])=[CH:25][CH:24]=1.N1C=CC=CC=1>C(O)C>[Br:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][N:30]=[C:17]2[CH2:18][CH2:19][CH:14]([NH:13][C@H:2]([CH3:1])[CH2:3][C:4]3[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][CH:5]=3)[CH2:15][CH2:16]2)=[CH:25][CH:24]=1
|
|f:1.2|
|
US05708187_
| 1,998 |
CCO.Cl.O=[C:17]1[CH2:16][CH2:15][CH:14]([NH:13][C@H:2]([CH3:1])[CH2:3][c:4]2[cH:5][cH:6][c:7]([N+:8](=[O:9])[O-:10])[cH:11][cH:12]2)[CH2:28][CH2:27]1.[NH2:18][NH:19][c:20]1[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]1.c1ccncc1>>[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([N+:8](=[O:9])[O-:10])[cH:11][cH:12]1)[NH:13][CH:14]1[CH2:15][CH2:16][C:17](=[N:18][NH:19][c:20]2[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]2)[CH2:27][CH2:28]1
| 0.912878 |
CCO.C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CCC(=O)CC1.Cl~NNc1ccc(Br)cc1.c1ccncc1>>C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CCC(=NNc2ccc(Br)cc2)CC1
|
CCO.C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CCC(=O)CC1.Cl.NNc1ccc(Br)cc1.c1ccncc1>>C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC1CCC(=NNc2ccc(Br)cc2)CC1
|
US05708187_grants
|
f82768a830893cf8467e6bca12e192a4d135a15bd57ca33db212a84e
|
CCO.Cl.O=[C:17]1[CH2:16][CH2:15][CH:14]([NH:13][C@H:2]([CH3:1])[CH2:3][c:4]2[cH:5][cH:6][c:7]([N+:8](=[O:9])[O-:10])[cH:11][cH:12]2)[CH2:28][CH2:27]1.[NH2:18][NH:19][c:20]1[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]1.c1ccncc1
|
[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([N+:8](=[O:9])[O-:10])[cH:11][cH:12]1)[NH:13][CH:14]1[CH2:15][CH2:16][C:17](=[N:18][NH:19][c:20]2[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]2)[CH2:27][CH2:28]1
|
([#7:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:1](-[C:2])-[C:3])>>(O=[C;H0;D3;+0:1](-[C:2])-[C:3]).([#7:4]-[NH2;D1;+0:5])
|
2fad773977dbddee34d3bbd255b8a605790296d34da56a02bbc4cd07
| 1 | 1 |
CCO.Cl.c1ccncc1
| 285 |
292,962 | 953,609 | 1,602,161 |
S(=O)(=O)(O)O.[Cl:6][C:7]1[CH:8]=[CH:9][C:10]([S:14][CH3:15])=[C:11]([CH:13]=1)N.N([O-])=O.[Na+].[I-:20].[K+]>O.C(#N)C>[Cl:6][C:7]1[CH:8]=[CH:9][C:10]([S:14][CH3:15])=[C:11]([I:20])[CH:13]=1
|
|f:2.3,4.5|
|
US08999998B2_0452
| 2,015 |
CC#N.N[c:9]1[c:3]([S:2][CH3:1])[cH:4][cH:5][c:6]([Cl:7])[cH:8]1.O.O=N[O-].O=S(=O)(O)O.[I-:10].[K+].[Na+]>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([Cl:7])[cH:8][c:9]1[I:10]
| 0.980045 |
CC#N.CSc1ccc(Cl)cc1N.O.O=N[O-]~[Na+].O=S(=O)(O)O.[I-]~[K+]>>CSc1ccc(Cl)cc1I
|
CC#N.CSc1ccc(Cl)cc1N.O.O=N[O-].O=S(=O)(O)O.[I-].[K+].[Na+]>>CSc1ccc(Cl)cc1I
|
US08999998B2_0452grants
|
afaf7bfabaede6e44599597eda57f2a6d5c8c76e126f4f4726f2369d
|
CC#N.N[c:9]1[c:3]([S:2][CH3:1])[cH:4][cH:5][c:6]([Cl:7])[cH:8]1.O.O=N[O-].O=S(=O)(O)O.[I-:10].[K+].[Na+]
|
[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([Cl:7])[cH:8][c:9]1[I:10]
|
([I;H0;D1;+0:4]-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(N-[c;H0;D3;+0:1](:[c:2]):[c:3]).([I-;H0;D0:4])
|
f7b1814488941bda42539098d24e3570562e5cf9e62a2a9f9206f16a
| 1 | 1 |
CC#N.O.O=N[O-].O=S(=O)(O)O.[K+].[Na+]
| 200 |
291,947 | 950,196 | 1,595,409 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@H:11]([CH3:13])[C@H:10]([NH:14][C:15]2[C:16]3[N:17]([CH:24]=[C:25]([C:27]([O:29]CC)=[O:28])[CH:26]=3)[N:18]=[CH:19][C:20]=2[C:21](=[O:23])[NH2:22])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>C1COCC1>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@H:11]([CH3:13])[C@H:10]([NH:14][C:15]2[C:16]3[N:17]([CH:24]=[C:25]([C:27]([OH:29])=[O:28])[CH:26]=3)[N:18]=[CH:19][C:20]=2[C:21](=[O:23])[NH2:22])[CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4]
|
|f:1.2|
|
US08987268B2_1041
| 2,015 |
C1CCOC1.CC[O:27][C:25]([c:24]1[cH:23][n:22]2[n:21][cH:20][c:16]([C:17]([NH2:18])=[O:19])[c:15]([NH:14][C@H:13]3[C@@H:2]([CH3:1])[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12]3)[c:29]2[cH:28]1)=[O:26].[Na+].[OH-]>>[CH3:1][C@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][C@H:13]1[NH:14][c:15]1[c:16]([C:17]([NH2:18])=[O:19])[cH:20][n:21][n:22]2[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]12
| 0.407519 |
C1CCOC1.CCOC(=O)c1cc2c(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)c(C(N)=O)cnn2c1.[Na+]~[OH-]>>C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(C(N)=O)cnn2cc(C(=O)O)cc12
|
C1CCOC1.CCOC(=O)c1cc2c(N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C)c(C(N)=O)cnn2c1.[Na+].[OH-]>>C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1Nc1c(C(N)=O)cnn2cc(C(=O)O)cc12
|
US08987268B2_1041grants
|
c67fcefb81ada4cfcaf0dc1268240751133cd86023682c2f000ec820
|
C1CCOC1.CC[O:27][C:25]([c:24]1[cH:23][n:22]2[n:21][cH:20][c:16]([C:17]([NH2:18])=[O:19])[c:15]([NH:14][C@H:13]3[C@@H:2]([CH3:1])[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12]3)[c:29]2[cH:28]1)=[O:26].[Na+].[OH-]
|
[CH3:1][C@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][C@H:13]1[NH:14][c:15]1[c:16]([C:17]([NH2:18])=[O:19])[cH:20][n:21][n:22]2[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]12
|
([O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[c:4])>>(C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[c:4])
|
b8d35231a9d964a0bcde41cb860d8e6c4726c2823ff5946d3ed0c3c9
| 1 | 1 |
C1CCOC1.[Na+].[OH-]
| 171 |
22,521 | 107,226 | 173,529 |
C(N(CC)CC)C.[CH2:8]([C:10]1[C:19]([CH2:20][CH3:21])=[C:18]([O:22][CH3:23])[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:11]=1O)[CH3:9].Cl.[CH3:26][N:27]([CH2:29][C:30]([OH:32])=[O:31])[CH3:28]>C(Cl)Cl>[CH3:26][N:27]([CH2:29][C:30]([O:32][C:11]1[C:12]2[C:17](=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:18]([O:22][CH3:23])=[C:19]([CH2:20][CH3:21])[C:10]=1[CH2:8][CH3:9])=[O:31])[CH3:28]
|
|f:2.3|
|
US04737519_
| 1,988 |
CCN(CC)CC.Cl.ClCCl.O[C:9](=[O:10])[CH2:11][N:12]([CH3:13])[CH3:14].[CH3:1][CH2:2][c:3]1[c:4]([CH2:5][CH3:6])[c:7]([OH:8])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[c:21]1[O:22][CH3:23]>>[CH3:1][CH2:2][c:3]1[c:4]([CH2:5][CH3:6])[c:7]([O:8][C:9](=[O:10])[CH2:11][N:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[c:21]1[O:22][CH3:23]
| 0.409311 |
CCN(CC)CC.CCc1c(CC)c(OC)c2ccccc2c1O.CN(C)CC(=O)O~Cl.ClCCl>>CCc1c(CC)c(OC(=O)CN(C)C)c2ccccc2c1OC
|
CCN(CC)CC.CCc1c(CC)c(OC)c2ccccc2c1O.CN(C)CC(=O)O.Cl.ClCCl>>CCc1c(CC)c(OC(=O)CN(C)C)c2ccccc2c1OC
|
US04737519_grants
|
7e2164a934d8459a02c567dbd39a91e337a0fff25247ba2835e87cde
|
CCN(CC)CC.Cl.ClCCl.O[C:9](=[O:10])[CH2:11][N:12]([CH3:13])[CH3:14].[CH3:1][CH2:2][c:3]1[c:4]([CH2:5][CH3:6])[c:7]([OH:8])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[c:21]1[O:22][CH3:23]
|
[CH3:1][CH2:2][c:3]1[c:4]([CH2:5][CH3:6])[c:7]([O:8][C:9](=[O:10])[CH2:11][N:12]([CH3:13])[CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[c:21]1[O:22][CH3:23]
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:4]-[c:5])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([OH;D1;+0:4]-[c:5])
|
52a9f3770324f928e217e1f2041cf70aaf8e26716d505572a4787c39
| 1 | 1 |
CCN(CC)CC.Cl.ClCCl
| 108 |
53,394 | 230,451 | 384,370 |
[CH2:1]([O:3][P:4]([CH:9]=[CH:10][C:11]1[CH:16]=[CH:15][C:14]([N+:17]([O-])=O)=[CH:13][CH:12]=1)(=[O:8])[O:5][CH2:6][CH3:7])[CH3:2].[Cl-].[NH4+]>[Fe]>[CH2:6]([O:5][P:4]([CH:9]=[CH:10][C:11]1[CH:16]=[CH:15][C:14]([NH2:17])=[CH:13][CH:12]=1)(=[O:8])[O:3][CH2:1][CH3:2])[CH3:7]
|
|f:1.2|
|
US05670493_
| 1,997 |
O=[N+:12]([O-])[c:11]1[cH:10][cH:9][c:8]([CH:7]=[CH:6][P:4]([O:3][CH2:2][CH3:1])(=[O:5])[O:15][CH2:16][CH3:17])[cH:14][cH:13]1.[Cl-].[Fe].[NH4+]>>[CH3:1][CH2:2][O:3][P:4](=[O:5])([CH:6]=[CH:7][c:8]1[cH:9][cH:10][c:11]([NH2:12])[cH:13][cH:14]1)[O:15][CH2:16][CH3:17]
| 0.905225 |
CCOP(=O)(C=Cc1ccc([N+](=O)[O-])cc1)OCC.[Cl-]~[NH4+].[Fe]>>CCOP(=O)(C=Cc1ccc(N)cc1)OCC
|
CCOP(=O)(C=Cc1ccc([N+](=O)[O-])cc1)OCC.[Cl-].[Fe].[NH4+]>>CCOP(=O)(C=Cc1ccc(N)cc1)OCC
|
US05670493_grants
|
18400214172670a64053c1f51030cc30e0778c284d420ac13f7b54d1
|
O=[N+:12]([O-])[c:11]1[cH:10][cH:9][c:8]([CH:7]=[CH:6][P:4]([O:3][CH2:2][CH3:1])(=[O:5])[O:15][CH2:16][CH3:17])[cH:14][cH:13]1.[Cl-].[Fe].[NH4+]
|
[CH3:1][CH2:2][O:3][P:4](=[O:5])([CH:6]=[CH:7][c:8]1[cH:9][cH:10][c:11]([NH2:12])[cH:13][cH:14]1)[O:15][CH2:16][CH3:17]
|
([NH2;D1;+0:1]-[c:2])>>(O=[N+;H0;D3:1](-[O-])-[c:2])
|
f0a489cd79c24ed642d5256650cdb0f98e5344b2c074824b17336ecc
| 1 | 1 |
[Cl-].[Fe].[NH4+]
| 1 |
168,943 | 593,000 | 983,795 |
[Cl:1][C:2]1[C:3]([CH3:9])=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.[H-].[Na+].Cl[C:13]1[N:18]=[C:17]([O:19][C:20]2[C:25]([CH3:26])=[CH:24][C:23]([NH2:27])=[C:22]([CH3:28])[CH:21]=2)[CH:16]=[CH:15][N:14]=1.O>C1COCC1>[Cl:1][C:2]1[C:3]([CH3:9])=[C:4]([CH:5]=[CH:6][CH:7]=1)[O:8][C:13]1[N:18]=[C:17]([O:19][C:20]2[C:25]([CH3:26])=[CH:24][C:23]([NH2:27])=[C:22]([CH3:28])[CH:21]=2)[CH:16]=[CH:15][N:14]=1
|
|f:1.2|
|
US07727986B2_0240
| 2,010 |
C1CCOC1.Cl[c:10]1[n:9][cH:8][cH:7][c:6]([O:5][c:4]2[cH:3][c:2]([CH3:1])[c:24]([NH2:25])[cH:23][c:21]2[CH3:22])[n:20]1.O.[H-].[Na+].[OH:11][c:12]1[cH:13][cH:14][cH:15][c:16]([Cl:17])[c:18]1[CH3:19]>>[CH3:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]([O:11][c:12]3[cH:13][cH:14][cH:15][c:16]([Cl:17])[c:18]3[CH3:19])[n:20]2)[c:21]([CH3:22])[cH:23][c:24]1[NH2:25]
| 0.97769 |
C1CCOC1.Cc1c(O)cccc1Cl.Cc1cc(Oc2ccnc(Cl)n2)c(C)cc1N.O.[H-]~[Na+]>>Cc1cc(Oc2ccnc(Oc3cccc(Cl)c3C)n2)c(C)cc1N
|
C1CCOC1.Cc1c(O)cccc1Cl.Cc1cc(Oc2ccnc(Cl)n2)c(C)cc1N.O.[H-].[Na+]>>Cc1cc(Oc2ccnc(Oc3cccc(Cl)c3C)n2)c(C)cc1N
|
US07727986B2_0240grants
|
6a36e9c833ad774024aadde4894f9b441ebcf738116831fa0e89e669
|
C1CCOC1.Cl[c:10]1[n:9][cH:8][cH:7][c:6]([O:5][c:4]2[cH:3][c:2]([CH3:1])[c:24]([NH2:25])[cH:23][c:21]2[CH3:22])[n:20]1.O.[H-].[Na+].[OH:11][c:12]1[cH:13][cH:14][cH:15][c:16]([Cl:17])[c:18]1[CH3:19]
|
[CH3:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][n:9][c:10]([O:11][c:12]3[cH:13][cH:14][cH:15][c:16]([Cl:17])[c:18]3[CH3:19])[n:20]2)[c:21]([CH3:22])[cH:23][c:24]1[NH2:25]
|
([#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[O;H0;D2;+0:4]-[c:5])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3]).([OH;D1;+0:4]-[c:5])
|
d46dd360409c022b7125de4964b86a8e74256017e44d64ed2c79b0d1
| 1 | 1 |
C1CCOC1.O.[H-].[Na+]
| 542 |
199,313 | 681,055 | 1,123,676 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[C:8](=[O:12])[NH:7][N:6]=[C:5]2[Cl:13].[Cl:14][C:15]1[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[C:16]=1[CH2:17][NH2:18].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([O-])(C)C.[Na+]>CC(N(C)C)=O.CCOC(C)=O.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.[Pd].[Pd]>[Cl:13][C:5]1[C:4]2[C:9](=[CH:10][CH:11]=[C:2]([NH:18][CH2:17][C:16]3[C:19]([F:23])=[CH:20][CH:21]=[CH:22][C:15]=3[Cl:14])[CH:3]=2)[C:8](=[O:12])[NH:7][N:6]=1
|
|f:3.4,7.8.9.10.11|
|
US08044041B2_0565
| 2,011 |
Br[c:9]1[cH:8][c:7]2[c:5]([Cl:6])[n:4][nH:3][c:2](=[O:1])[c:22]2[cH:21][cH:20]1.CC(=O)N(C)C.CC(C)(C)[O-].CCOC(C)=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.[NH2:10][CH2:11][c:12]1[c:13]([F:14])[cH:15][cH:16][cH:17][c:18]1[Cl:19].[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>[O:1]=[c:2]1[nH:3][n:4][c:5]([Cl:6])[c:7]2[cH:8][c:9]([NH:10][CH2:11][c:12]3[c:13]([F:14])[cH:15][cH:16][cH:17][c:18]3[Cl:19])[cH:20][cH:21][c:22]12
| 0.981949 |
CC(=O)N(C)C.CC(C)(C)[O-]~[Na+].CCOC(C)=O.NCc1c(F)cccc1Cl.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].O=c1[nH]nc(Cl)c2cc(Br)ccc12.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>O=c1[nH]nc(Cl)c2cc(NCc3c(F)cccc3Cl)ccc12
|
CC(=O)N(C)C.CC(C)(C)[O-].CCOC(C)=O.NCc1c(F)cccc1Cl.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=c1[nH]nc(Cl)c2cc(Br)ccc12.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>O=c1[nH]nc(Cl)c2cc(NCc3c(F)cccc3Cl)ccc12
|
US08044041B2_0565grants
|
65734be50ee95ec18d85b58e531a74d73af3587161fd11ac9730c67a
|
Br[c:9]1[cH:8][c:7]2[c:5]([Cl:6])[n:4][nH:3][c:2](=[O:1])[c:22]2[cH:21][cH:20]1.CC(=O)N(C)C.CC(C)(C)[O-].CCOC(C)=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.[NH2:10][CH2:11][c:12]1[c:13]([F:14])[cH:15][cH:16][cH:17][c:18]1[Cl:19].[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
|
[O:1]=[c:2]1[nH:3][n:4][c:5]([Cl:6])[c:7]2[cH:8][c:9]([NH:10][CH2:11][c:12]3[c:13]([F:14])[cH:15][cH:16][cH:17][c:18]3[Cl:19])[cH:20][cH:21][c:22]12
|
([c: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)>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).([NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1)
|
5286675aed13a1cf5bb37004b3a07fc6b435023038a3823d0a30cb97
| 1 | 1 |
CC(=O)N(C)C.CC(C)(C)[O-].CCOC(C)=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.[Na+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
| 932 |
163,423 | 575,981 | 959,550 |
[NH:1]1[CH2:5][CH2:4][CH:3]([C:6]2[CH:7]=[N:8][CH:9]=[CH:10][CH:11]=2)[CH2:2]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)C(C)C)C.[CH2:43]([C:47]1[O:51][N:50]=[CH:49][C:48]=1[C:52](O)=[O:53])[CH2:44][CH2:45][CH3:46]>CN(C=O)C>[CH2:43]([C:47]1[O:51][N:50]=[CH:49][C:48]=1[C:52]([N:1]1[CH2:5][CH2:4][CH:3]([C:6]2[CH:7]=[N:8][CH:9]=[CH:10][CH:11]=2)[CH2:2]1)=[O:53])[CH2:44][CH2:45][CH3:46]
|
|f:1.2|
|
US07666888B2_0464
| 2,010 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.O[C:10]([c:9]1[c:5]([CH2:4][CH2:3][CH2:2][CH3:1])[o:6][n:7][cH:8]1)=[O:11].[NH:12]1[CH2:13][CH2:14][CH:15]([c:16]2[cH:17][cH:18][cH:19][n:20][cH:21]2)[CH2:22]1>>[CH3:1][CH2:2][CH2:3][CH2:4][c:5]1[o:6][n:7][cH:8][c:9]1[C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]([c:16]2[cH:17][cH:18][cH:19][n:20][cH:21]2)[CH2:22]1
| 0.961457 |
CCCCc1oncc1C(=O)O.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.CN(C)C=O.c1cncc(C2CCNC2)c1>>CCCCc1oncc1C(=O)N1CCC(c2cccnc2)C1
|
CCCCc1oncc1C(=O)O.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.c1cncc(C2CCNC2)c1>>CCCCc1oncc1C(=O)N1CCC(c2cccnc2)C1
|
US07666888B2_0464grants
|
7c10844cfebcb8c0efd0aed4c8ac843be237922502d625127100fd01
|
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.O[C:10]([c:9]1[c:5]([CH2:4][CH2:3][CH2:2][CH3:1])[o:6][n:7][cH:8]1)=[O:11].[NH:12]1[CH2:13][CH2:14][CH:15]([c:16]2[cH:17][cH:18][cH:19][n:20][cH:21]2)[CH2:22]1
|
[CH3:1][CH2:2][CH2:3][CH2:4][c:5]1[o:6][n:7][cH:8][c:9]1[C:10](=[O:11])[N:12]1[CH2:13][CH2:14][CH:15]([c:16]2[cH:17][cH:18][cH:19][n:20][cH:21]2)[CH2:22]1
|
([C:8]-[N;H0;D3;+0:9](-[C:10])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]1:[c:4]:[#8;a:5]:[#7;a:6]:[c:7]:1)>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]1:[c:4]:[#8;a:5]:[#7;a:6]:[c:7]:1).([C:8]-[NH;D2;+0:9]-[C:10])
|
4f1c577a6b6633ffc5f7dbc2b08084fd291de57064137ba88d19e7f6
| 1 | 1 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F
| 975 |
169,059 | 593,336 | 984,272 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[CH:11][C:12]([CH:21]=O)=[N:13][C:14]=2[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[CH:5][CH:4]=1)[CH3:2].[NH2:23][CH2:24][CH2:25][CH2:26][CH2:27][P:28](=[O:31])([OH:30])[OH:29].[BH3-]C#N.[Na+]>CO>[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:10]=[CH:11][C:12]([CH2:21][NH:23][CH2:24][CH2:25][CH2:26][CH2:27][P:28](=[O:29])([OH:31])[OH:30])=[N:13][C:14]=2[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[CH:5][CH:4]=1)[CH3:2]
|
|f:2.3|
|
US07728014B2_0258
| 2,010 |
CO.O=[CH:11][c:10]1[cH:9][cH:8][c:7](-[c:6]2[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:30][cH:29]2)[c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:21]1.[BH3-]C#N.[NH2:12][CH2:13][CH2:14][CH2:15][CH2:16][P:17](=[O:18])([OH:19])[OH:20].[Na+]>>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([CH2:11][NH:12][CH2:13][CH2:14][CH2:15][CH2:16][P:17](=[O:18])([OH:19])[OH:20])[n:21][c:22]2-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30]1
| 0.506348 |
CCc1ccc(-c2ccc(C=O)nc2-c2ccccc2)cc1.CO.NCCCCP(=O)(O)O.[BH3-]C#N~[Na+]>>CCc1ccc(-c2ccc(CNCCCCP(=O)(O)O)nc2-c2ccccc2)cc1
|
CCc1ccc(-c2ccc(C=O)nc2-c2ccccc2)cc1.CO.NCCCCP(=O)(O)O.[BH3-]C#N.[Na+]>>CCc1ccc(-c2ccc(CNCCCCP(=O)(O)O)nc2-c2ccccc2)cc1
|
US07728014B2_0258grants
|
6d2ca6d3b02a6f5b86b506df72c0ecc642819e9f2b279747ce5ff314
|
CO.O=[CH:11][c:10]1[cH:9][cH:8][c:7](-[c:6]2[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:30][cH:29]2)[c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:21]1.[BH3-]C#N.[NH2:12][CH2:13][CH2:14][CH2:15][CH2:16][P:17](=[O:18])([OH:19])[OH:20].[Na+]
|
[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([CH2:11][NH:12][CH2:13][CH2:14][CH2:15][CH2:16][P:17](=[O:18])([OH:19])[OH:20])[n:21][c:22]2-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30]1
|
([#7;a:3]:[c:2]-[CH2;D2;+0:1]-[NH;D2;+0:5]-[C:4])>>(O=[CH;D2;+0:1]-[c:2]:[#7;a:3]).([C:4]-[NH2;D1;+0:5])
|
9ec116ea9d524dc10e4944fdcca64b025ecd1e9172f4c5794983c2b5
| 1 | 1 |
CO.[BH3-]C#N.[Na+]
| 775 |
174,802 | 610,681 | 1,012,233 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C:9]1[S:13][C:12]([CH2:21][CH2:22][CH2:23][NH:24]C(=O)OC(C)(C)C)([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([OH:20])[CH:15]=2)[N:11]([C:32]2[S:33][C:34]([CH3:37])=[N:35][N:36]=2)[N:10]=1.Cl.CCOCC>CCOCC.C(Cl)Cl>[NH2:24][CH2:23][CH2:22][CH2:21][C:12]1([C:14]2[CH:15]=[C:16]([OH:20])[CH:17]=[CH:18][CH:19]=2)[N:11]([C:32]2[S:33][C:34]([CH3:37])=[N:35][N:36]=2)[N:10]=[C:9]([C:3]2[CH:4]=[C:5]([F:8])[CH:6]=[CH:7][C:2]=2[F:1])[S:13]1
|
|f:1.2,3.4|
|
US07795282B2_0442
| 2,010 |
CC(C)(C)OC(=O)[NH:22][CH2:21][CH2:20][CH2:19][C:18]1([c:23]2[cH:24][cH:25][cH:26][c:27]([OH:28])[cH:29]2)[N:6]([c:5]2[n:4][n:3][c:2]([CH3:1])[s:30]2)[N:7]=[C:8]([c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]2[F:16])[S:17]1.CCOCC.CCOCC.Cl.ClCCl>>[CH3:1][c:2]1[n:3][n:4][c:5]([N:6]2[N:7]=[C:8]([c:9]3[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]3[F:16])[S:17][C:18]2([CH2:19][CH2:20][CH2:21][NH2:22])[c:23]2[cH:24][cH:25][cH:26][c:27]([OH:28])[cH:29]2)[s:30]1
| 0.988816 |
CCOCC~Cl.CCOCC~ClCCl.Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCNC(=O)OC(C)(C)C)c2cccc(O)c2)s1>>Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCN)c2cccc(O)c2)s1
|
CCOCC.CCOCC.Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCNC(=O)OC(C)(C)C)c2cccc(O)c2)s1.Cl.ClCCl>>Cc1nnc(N2N=C(c3cc(F)ccc3F)SC2(CCCN)c2cccc(O)c2)s1
|
US07795282B2_0442grants
|
c4bfb61c20ce499a2d2ca1664dcabae6259ec560b67ba978288d4676
|
CC(C)(C)OC(=O)[NH:22][CH2:21][CH2:20][CH2:19][C:18]1([c:23]2[cH:24][cH:25][cH:26][c:27]([OH:28])[cH:29]2)[N:6]([c:5]2[n:4][n:3][c:2]([CH3:1])[s:30]2)[N:7]=[C:8]([c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]2[F:16])[S:17]1.CCOCC.CCOCC.Cl.ClCCl
|
[CH3:1][c:2]1[n:3][n:4][c:5]([N:6]2[N:7]=[C:8]([c:9]3[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]3[F:16])[S:17][C:18]2([CH2:19][CH2:20][CH2:21][NH2:22])[c:23]2[cH:24][cH:25][cH:26][c:27]([OH:28])[cH:29]2)[s:30]1
|
([C:2]-[NH2;D1;+0:1])>>(C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C:2])
|
6c83f45f485301792011c63e6835be21ece3be24f5b32a6e45acc5be
| 1 | 1 |
CCOCC.CCOCC.Cl.ClCCl
| 538 |
277,177 | 908,741 | 1,517,615 |
Br[C:2]1[N:7]=[C:6]2[N:8]([CH2:12][C:13]3[C:18]([F:19])=[CH:17][CH:16]=[C:15]([F:20])[C:14]=3[Cl:21])[CH2:9][CH2:10][NH:11][C:5]2=[N:4][CH:3]=1.[O:22]1[CH2:27][CH2:26][N:25]([C:28]2[CH:29]=[C:30](B3OC(C)(C)C(C)(C)O3)[CH:31]=[CH:32][CH:33]=2)[CH2:24][CH2:23]1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[Cl:21][C:14]1[C:15]([F:20])=[CH:16][CH:17]=[C:18]([F:19])[C:13]=1[CH2:12][N:8]1[C:6]2=[N:7][C:2]([C:32]3[CH:31]=[CH:30][CH:29]=[C:28]([N:25]4[CH2:24][CH2:23][O:22][CH2:27][CH2:26]4)[CH:33]=3)=[CH:3][N:4]=[C:5]2[NH:11][CH2:10][CH2:9]1
|
|^1:46,48,67,86|
|
US08846664B2_0402
| 2,014 |
Br[c:16]1[cH:15][n:14][c:13]2[c:30]([n:29]1)[N:9]([CH2:8][c:7]1[c:5]([F:6])[cH:4][cH:3][c:2]([F:1])[c:31]1[Cl:32])[CH2:10][CH2:11][NH:12]2.CC1(C)OB([c:17]2[cH:18][cH:19][cH:20][c:21]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:28]2)OC1(C)C.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>[F:1][c:2]1[cH:3][cH:4][c:5]([F:6])[c:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][c:13]3[n:14][cH:15][c:16](-[c:17]4[cH:18][cH:19][cH:20][c:21]([N:22]5[CH2:23][CH2:24][O:25][CH2:26][CH2:27]5)[cH:28]4)[n:29][c:30]32)[c:31]1[Cl:32]
| 0.946442 |
CC1(C)OB(c2cccc(N3CCOCC3)c2)OC1(C)C.Fc1ccc(F)c(CN2CCNc3ncc(Br)nc32)c1Cl.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>Fc1ccc(F)c(CN2CCNc3ncc(-c4cccc(N5CCOCC5)c4)nc32)c1Cl
|
CC1(C)OB(c2cccc(N3CCOCC3)c2)OC1(C)C.Fc1ccc(F)c(CN2CCNc3ncc(Br)nc32)c1Cl.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>Fc1ccc(F)c(CN2CCNc3ncc(-c4cccc(N5CCOCC5)c4)nc32)c1Cl
|
US08846664B2_0402grants
|
950d343035e9684a332c83fdd693aad5dc94a9a27213e74426948b7d
|
Br[c:16]1[cH:15][n:14][c:13]2[c:30]([n:29]1)[N:9]([CH2:8][c:7]1[c:5]([F:6])[cH:4][cH:3][c:2]([F:1])[c:31]1[Cl:32])[CH2:10][CH2:11][NH:12]2.CC1(C)OB([c:17]2[cH:18][cH:19][cH:20][c:21]([N:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:28]2)OC1(C)C.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
|
[F:1][c:2]1[cH:3][cH:4][c:5]([F:6])[c:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][c:13]3[n:14][cH:15][c:16](-[c:17]4[cH:18][cH:19][cH:20][c:21]([N:22]5[CH2:23][CH2:24][O:25][CH2:26][CH2:27]5)[cH:28]4)[n:29][c:30]32)[c:31]1[Cl:32]
|
([#7;a:4]:[c:3]:[c;H0;D3;+0:1](:[#7;a:2])-[c;H0;D3;+0:5](:[c:6]):[c:7])>>(Br-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]:[#7;a:4]).(C-C1(-C)-O-B(-[c;H0;D3;+0:5](:[c:6]):[c:7])-O-C-1(-C)-C)
|
6843446c4e7cab6bd858b76ec1a61960345db3b00bc689a232e2add6
| 1 | 1 |
c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
| 937 |
240,363 | 801,283 | 1,326,411 |
[C:1]([C:3]1[CH:12]=[C:11]2[C:6]([CH:7]=[CH:8][C:9](=[O:17])[N:10]2[CH2:13][C:14]([OH:16])=O)=[CH:5][CH:4]=1)#[N:2].[Br:18][C:19]1[C:20]([C:25]2[NH:29][N:28]=[CH:27][N:26]=2)=[C:21]([NH2:24])[S:22][CH:23]=1>>[Br:18][C:19]1[C:20]([C:25]2[NH:29][N:28]=[CH:27][N:26]=2)=[C:21]([NH:24][C:14](=[O:16])[CH2:13][N:10]2[C:11]3[C:6](=[CH:5][CH:4]=[C:3]([C:1]#[N:2])[CH:12]=3)[CH:7]=[CH:8][C:9]2=[O:17])[S:22][CH:23]=1
| null |
US08450363B2_0489
| 2,013 |
O[C:13]([CH2:12][n:11]1[c:9](=[O:10])[cH:8][cH:7][c:6]2[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:28][c:27]21)=[O:14].[NH2:15][c:16]1[s:17][cH:18][c:19]([Br:20])[c:21]1-[c:22]1[n:23][cH:24][n:25][nH:26]1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9](=[O:10])[n:11]([CH2:12][C:13](=[O:14])[NH:15][c:16]3[s:17][cH:18][c:19]([Br:20])[c:21]3-[c:22]3[n:23][cH:24][n:25][nH:26]3)[c:27]2[cH:28]1
| 0.967994 |
N#Cc1ccc2ccc(=O)n(CC(=O)O)c2c1.Nc1scc(Br)c1-c1ncn[nH]1>>N#Cc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
|
N#Cc1ccc2ccc(=O)n(CC(=O)O)c2c1.Nc1scc(Br)c1-c1ncn[nH]1>>N#Cc1ccc2ccc(=O)n(CC(=O)Nc3scc(Br)c3-c3ncn[nH]3)c2c1
|
US08450363B2_0489grants
|
ab825e3a55ba2b684f05a1932adfacc8b3bf72efe8e00d0ba41d49ee
|
O[C:13]([CH2:12][n:11]1[c:9](=[O:10])[cH:8][cH:7][c:6]2[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:28][c:27]21)=[O:14].[NH2:15][c:16]1[s:17][cH:18][c:19]([Br:20])[c:21]1-[c:22]1[n:23][cH:24][n:25][nH:26]1
|
[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9](=[O:10])[n:11]([CH2:12][C:13](=[O:14])[NH:15][c:16]3[s:17][cH:18][c:19]([Br:20])[c:21]3-[c:22]3[n:23][cH:24][n:25][nH:26]3)[c:27]2[cH:28]1
|
([#16;a:4]:[c:5]-[NH;D2;+0:6]-[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]-[NH2;D1;+0:6])
|
e1b7920dab4bf68a4c6eff1a3d442cff0ab2b6fc5479867504afa24a
| 1 | 1 | null | 882 |
194,757 | 668,319 | 1,105,207 |
[CH:1]1([N:6]2[CH2:12][C:11]([F:14])([F:13])[C:10](=[O:15])[N:9]([CH3:16])[C:8]3[CH:17]=[N:18][C:19]([NH:21][C:22]4[CH:30]=[CH:29][C:25]([C:26]([OH:28])=O)=[CH:24][C:23]=4[O:31][CH3:32])=[N:20][C:7]2=3)[CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(C(C)C)C(C)C)C.[CH:42]1([N:45]2[CH2:50][CH2:49][CH:48]([NH2:51])[CH2:47][CH2:46]2)[CH2:44][CH2:43]1>CN(C)C=O>[CH:1]1([N:6]2[CH2:12][C:11]([F:13])([F:14])[C:10](=[O:15])[N:9]([CH3:16])[C:8]3[CH:17]=[N:18][C:19]([NH:21][C:22]4[CH:30]=[CH:29][C:25]([C:26]([NH:51][CH:48]5[CH2:49][CH2:50][N:45]([CH:42]6[CH2:44][CH2:43]6)[CH2:46][CH2:47]5)=[O:28])=[CH:24][C:23]=4[O:31][CH3:32])=[N:20][C:7]2=3)[CH2:2][CH2:3][CH2:4][CH2:5]1
| null |
US08003785B2_0279
| 2,011 |
CCN(C(C)C)C(C)C.CN(C)C=O.O[C:6]([c:5]1[cH:4][c:3]([O:2][CH3:1])[c:20]([NH:21][c:22]2[n:23][cH:24][c:25]3[c:26]([n:27]2)[N:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][C:35]([F:36])([F:37])[C:38](=[O:39])[N:40]3[CH3:41])[cH:19][cH:18]1)=[O:7].[NH2:8][CH:9]1[CH2:10][CH2:11][N:12]([CH:13]2[CH2:14][CH2:15]2)[CH2:16][CH2:17]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]2[CH2:10][CH2:11][N:12]([CH:13]3[CH2:14][CH2:15]3)[CH2:16][CH2:17]2)[cH:18][cH:19][c:20]1[NH:21][c:22]1[n:23][cH:24][c:25]2[c:26]([n:27]1)[N:28]([CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1)[CH2:34][C:35]([F:36])([F:37])[C:38](=[O:39])[N:40]2[CH3:41]
| 0.564782 |
CCN(C(C)C)C(C)C.CN(C)C=O.COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C.NC1CCN(C2CC2)CC1>>COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
|
CCN(C(C)C)C(C)C.CN(C)C=O.COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C.NC1CCN(C2CC2)CC1>>COc1cc(C(=O)NC2CCN(C3CC3)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
|
US08003785B2_0279grants
|
e56caea18caa4ac00e12a5a38aed659d979c3e402325e9e851055581
|
CCN(C(C)C)C(C)C.CN(C)C=O.O[C:6]([c:5]1[cH:4][c:3]([O:2][CH3:1])[c:20]([NH:21][c:22]2[n:23][cH:24][c:25]3[c:26]([n:27]2)[N:28]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][C:35]([F:36])([F:37])[C:38](=[O:39])[N:40]3[CH3:41])[cH:19][cH:18]1)=[O:7].[NH2:8][CH:9]1[CH2:10][CH2:11][N:12]([CH:13]2[CH2:14][CH2:15]2)[CH2:16][CH2:17]1
|
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]2[CH2:10][CH2:11][N:12]([CH:13]3[CH2:14][CH2:15]3)[CH2:16][CH2:17]2)[cH:18][cH:19][c:20]1[NH:21][c:22]1[n:23][cH:24][c:25]2[c:26]([n:27]1)[N:28]([CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1)[CH2:34][C:35]([F:36])([F:37])[C:38](=[O:39])[N:40]2[CH3:41]
|
([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=O
| 334 |
259,472 | 857,558 | 1,426,943 |
[CH3:1][C:2]1[C:3]([N:9]2[CH2:16][CH:15]3[CH:11]([CH2:12][NH:13][CH2:14]3)[CH2:10]2)=[N:4][C:5]([CH3:8])=[CH:6][N:7]=1.[F:17][C:18]1[CH:26]=[CH:25][C:21]([C:22](O)=[O:23])=[C:20]([N:27]2[N:31]=[CH:30][CH:29]=[N:28]2)[CH:19]=1>>[CH3:1][C:2]1[C:3]([N:9]2[CH2:16][CH:15]3[CH:11]([CH2:12][N:13]([C:22]([C:21]4[CH:25]=[CH:26][C:18]([F:17])=[CH:19][C:20]=4[N:27]4[N:31]=[CH:30][CH:29]=[N:28]4)=[O:23])[CH2:14]3)[CH2:10]2)=[N:4][C:5]([CH3:8])=[CH:6][N:7]=1
| null |
US08653263B2_0618
| 2,014 |
O[C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([F:19])[cH:20][c:21]1-[n:22]1[n:23][cH:24][cH:25][n:26]1.[CH3:1][c:2]1[cH:3][n:4][c:5]([CH3:6])[c:7]([N:8]2[CH2:9][CH:10]3[CH2:11][NH:12][CH2:27][CH:28]3[CH2:29]2)[n:30]1>>[CH3:1][c:2]1[cH:3][n:4][c:5]([CH3:6])[c:7]([N:8]2[CH2:9][CH:10]3[CH2:11][N:12]([C:13](=[O:14])[c:15]4[cH:16][cH:17][c:18]([F:19])[cH:20][c:21]4-[n:22]4[n:23][cH:24][cH:25][n:26]4)[CH2:27][CH:28]3[CH2:29]2)[n:30]1
| 0.899607 |
Cc1cnc(C)c(N2CC3CNCC3C2)n1.O=C(O)c1ccc(F)cc1-n1nccn1>>Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1
|
Cc1cnc(C)c(N2CC3CNCC3C2)n1.O=C(O)c1ccc(F)cc1-n1nccn1>>Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1
|
US08653263B2_0618grants
|
f8452b71d8f27fafdbd7e5d0f67d4405aa08d4d405a1512d6cd2015f
|
O[C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([F:19])[cH:20][c:21]1-[n:22]1[n:23][cH:24][cH:25][n:26]1.[CH3:1][c:2]1[cH:3][n:4][c:5]([CH3:6])[c:7]([N:8]2[CH2:9][CH:10]3[CH2:11][NH:12][CH2:27][CH:28]3[CH2:29]2)[n:30]1
|
[CH3:1][c:2]1[cH:3][n:4][c:5]([CH3:6])[c:7]([N:8]2[CH2:9][CH:10]3[CH2:11][N:12]([C:13](=[O:14])[c:15]4[cH:16][cH:17][c:18]([F:19])[cH:20][c:21]4-[n:22]4[n:23][cH:24][cH:25][n:26]4)[CH2:27][CH:28]3[CH2:29]2)[n:30]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
11438d3fa968bbd8c4f3372ffee303c561281eed4a1be36b1ce3c5b0
| 1 | 1 | null | 44 |
17,504 | 85,589 | 139,773 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[CH:10][C:11](=[O:14])[NH:12][CH:13]=2)=[CH:4][CH:3]=1.[N+:15]([C:18]1[CH:26]=[CH:25][C:21]([C:22](Cl)=[O:23])=[CH:20][CH:19]=1)([O-:17])=[O:16]>[OH-].[Na+]>[N+:15]([C:18]1[CH:19]=[CH:20][C:21]([C:22]([NH:1][C:2]2[CH:3]=[CH:4][C:5]([C:8]3[N:9]=[CH:10][C:11](=[O:14])[NH:12][CH:13]=3)=[CH:6][CH:7]=2)=[O:23])=[CH:25][CH:26]=1)([O-:17])=[O:16]
|
|f:2.3|
|
US04556711_
| 1,985 |
Cl[C:2](=[O:1])[c:17]1[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24][cH:25]1.[NH2:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][nH:10][c:11](=[O:12])[cH:13][n:14]2)[cH:15][cH:16]1.[Na+].[OH-]>>[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][nH:10][c:11](=[O:12])[cH:13][n:14]2)[cH:15][cH:16]1)[c:17]1[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24][cH:25]1
| 0.905546 |
Nc1ccc(-c2c[nH]c(=O)cn2)cc1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.[Na+]~[OH-]>>O=C(Nc1ccc(-c2c[nH]c(=O)cn2)cc1)c1ccc([N+](=O)[O-])cc1
|
Nc1ccc(-c2c[nH]c(=O)cn2)cc1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.[Na+].[OH-]>>O=C(Nc1ccc(-c2c[nH]c(=O)cn2)cc1)c1ccc([N+](=O)[O-])cc1
|
US04556711_grants
|
65c626c467d08e2f48aa28e188623aca879739f9f9786c2ed1e1bf3b
|
Cl[C:2](=[O:1])[c:17]1[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24][cH:25]1.[NH2:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][nH:10][c:11](=[O:12])[cH:13][n:14]2)[cH:15][cH:16]1.[Na+].[OH-]
|
[O:1]=[C:2]([NH:3][c:4]1[cH:5][cH:6][c:7](-[c:8]2[cH:9][nH:10][c:11](=[O:12])[cH:13][n:14]2)[cH:15][cH:16]1)[c:17]1[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH: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 |
[Na+].[OH-]
| 11 |
154,531 | 549,991 | 919,875 |
[F:1][C:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:5]=[CH:4][C:3]=1[C:12]1([OH:25])[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14][CH2:13]1.FC(F)(F)C(O)=O>C(Cl)Cl>[F:1][C:2]1[C:7]([C:8]([F:10])([F:11])[F:9])=[CH:6][CH:5]=[CH:4][C:3]=1[C:12]1([OH:25])[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1
| null |
US07579474B2_0221
| 2,009 |
CC(C)(C)OC(=O)[N:16]1[CH2:15][CH2:14][C:2]([OH:1])([c:3]2[cH:4][cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[c:12]2[F:13])[CH2:18][CH2:17]1.ClCCl.O=C(O)C(F)(F)F>>[OH:1][C:2]1([c:3]2[cH:4][cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[c:12]2[F:13])[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1
| 0.272741 |
CC(C)(C)OC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2F)CC1.ClCCl.O=C(O)C(F)(F)F>>OC1(c2cccc(C(F)(F)F)c2F)CCNCC1
|
CC(C)(C)OC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2F)CC1.ClCCl.O=C(O)C(F)(F)F>>OC1(c2cccc(C(F)(F)F)c2F)CCNCC1
|
US07579474B2_0221grants
|
3e82d61f3be5f19272920d6dcc74ce111e2e24a7838b082ed43b4ae0
|
CC(C)(C)OC(=O)[N:16]1[CH2:15][CH2:14][C:2]([OH:1])([c:3]2[cH:4][cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[c:12]2[F:13])[CH2:18][CH2:17]1.ClCCl.O=C(O)C(F)(F)F
|
[OH:1][C:2]1([c:3]2[cH:4][cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[c:12]2[F:13])[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1
|
([C:2]-[NH;D2;+0:1]-[C:3])>>(C-C(-C)(-C)-O-C(=O)-[N;H0;D3;+0:1](-[C:2])-[C:3])
|
55396c1492cc3823f0701ef923544f9f4c1af584b69f4ce5650dc5ae
| 1 | 1 |
ClCCl.O=C(O)C(F)(F)F
| 575 |
112,037 | 421,452 | 718,254 |
[Na].Br[C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([Br:9])[N:4]=1.CCCC(C)C.[CH2:16]([OH:18])[CH3:17]>>[Br:9][C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([O:18][CH2:16][CH3:17])[N:4]=1
|
|^1:0|
|
US07030128B2_0357
| 2,006 |
Br[c:4]1[cH:5][cH:6][cH:7][c:8]([Br:9])[n:10]1.CCCC(C)C.[CH3:1][CH2:2][OH:3].[Na]>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][cH:7][c:8]([Br:9])[n:10]1
| 0.536808 |
Brc1cccc(Br)n1.CCCC(C)C.CCO.[Na]>>CCOc1cccc(Br)n1
|
Brc1cccc(Br)n1.CCCC(C)C.CCO.[Na]>>CCOc1cccc(Br)n1
|
US07030128B2_0357grants
|
4bfc4471de13e06b1136d55e976c9b26be938e3391aefdbb3cff12f6
|
Br[c:4]1[cH:5][cH:6][cH:7][c:8]([Br:9])[n:10]1.CCCC(C)C.[CH3:1][CH2:2][OH:3].[Na]
|
[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][cH:7][c:8]([Br:9])[n:10]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[O;H0;D2;+0:5]-[C:4])>>(Br-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[OH;D1;+0:5])
|
0342bdad8e7fff14a6be4ee6226b231729f96655f75c5bc5e0281494
| 1 | 1 |
CCCC(C)C.[Na]
| 551 |
48,967 | 212,909 | 344,632 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][CH2:9][CH2:10][CH2:11][C:12]1[CH:22]=[CH:21][CH:20]=[CH:19][C:13]=1[O:14][CH2:15][CH:16]1[CH2:18][O:17]1.[CH3:23][NH:24][CH3:25]>O1CCCC1>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][CH2:9][CH2:10][CH2:11][C:12]1[CH:22]=[CH:21][CH:20]=[CH:19][C:13]=1[O:14][CH2:15][CH:16]([OH:17])[CH2:18][N:24]([CH3:25])[CH3:23]
| null |
US05556864_
| 1,996 |
C1CCOC1.[CH2:4]1[CH:5]([CH2:7][O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[CH2:15][CH2:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[Cl:25])[O:6]1.[CH3:1][NH:2][CH3:3]>>[CH3:1][N:2]([CH3:3])[CH2:4][CH:5]([OH:6])[CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[Cl:25]
| 0.802728 |
C1CCOC1.CNC.Clc1ccccc1CCCCc1ccccc1OCC1CO1>>CN(C)CC(O)COc1ccccc1CCCCc1ccccc1Cl
|
C1CCOC1.CNC.Clc1ccccc1CCCCc1ccccc1OCC1CO1>>CN(C)CC(O)COc1ccccc1CCCCc1ccccc1Cl
|
US05556864_grants
|
8d010db1b6c9e4b1b3926f52403ee0b4bbb1d5da9df9ac200cf6bc59
|
C1CCOC1.[CH2:4]1[CH:5]([CH2:7][O:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[CH2:15][CH2:16][CH2:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[Cl:25])[O:6]1.[CH3:1][NH:2][CH3:3]
|
[CH3:1][N:2]([CH3:3])[CH2:4][CH:5]([OH:6])[CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][cH:13][c:14]1[CH2:15][CH2:16][CH2:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][c:24]1[Cl:25]
|
([C;D1;H3:1]-[N;H0;D3;+0:2](-[C;D1;H3:3])-[CH2;D2;+0:5]-[C:4]-[OH;D1;+0:6])>>([C;D1;H3:1]-[NH;D2;+0:2]-[C;D1;H3:3]).([C:4]1-[CH2;D2;+0:5]-[O;H0;D2;+0:6]-1)
|
44c785fb5a8d587d2ec1ca5060ffda34ecfc782c8160e866fb6e01e9
| 1 | 1 |
C1CCOC1
| 76 |
350,151 | 474,514 | null |
Cl.Cl.[NH2:3][C@H:4]1[CH2:9][CH2:8][C@H:7]([C:10]([N:12]2[CH2:17][CH2:16][N:15]([CH:18]([CH3:20])[CH3:19])[CH2:14][CH2:13]2)=[O:11])[CH2:6][CH2:5]1.[C:21](Cl)(=[O:25])[CH:22]([CH3:24])[CH3:23].CCN(CC)CC>ClCCl>[CH:18]([N:15]1[CH2:14][CH2:13][N:12]([C:10]([C@H:7]2[CH2:8][CH2:9][C@H:4]([NH:3][C:21](=[O:25])[CH:22]([CH3:24])[CH3:23])[CH2:5][CH2:6]2)=[O:11])[CH2:17][CH2:16]1)([CH3:20])[CH3:19]
|
|f:0.1.2|
|
US20070167436A1_0436
| 2,007 |
CCN(CC)CC.Cl.Cl.ClCCl.Cl[C:4]([CH:2]([CH3:1])[CH3:3])=[O:5].[NH2:6][C@H:7]1[CH2:8][CH2:9][C@H:10]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH2:21]2)[CH2:22][CH2:23]1>>[CH3:1][CH:2]([CH3:3])[C:4](=[O:5])[NH:6][C@H:7]1[CH2:8][CH2:9][C@H:10]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH2:21]2)[CH2:22][CH2:23]1
| 0.552028 |
CC(C)C(=O)Cl.CC(C)N1CCN(C(=O)[C@@H]2CC[C@@H](N)CC2)CC1~Cl~Cl.CCN(CC)CC.ClCCl>>CC(C)C(=O)N[C@@H]1CC[C@@H](C(=O)N2CCN(C(C)C)CC2)CC1
|
CC(C)C(=O)Cl.CC(C)N1CCN(C(=O)[C@@H]2CC[C@@H](N)CC2)CC1.CCN(CC)CC.Cl.Cl.ClCCl>>CC(C)C(=O)N[C@@H]1CC[C@@H](C(=O)N2CCN(C(C)C)CC2)CC1
|
US20070167436A1_0436apps
|
b1bb7410256aa5cf2d8291ccb31f0d87d8ddb496900603528acc612c
|
CCN(CC)CC.Cl.Cl.ClCCl.Cl[C:4]([CH:2]([CH3:1])[CH3:3])=[O:5].[NH2:6][C@H:7]1[CH2:8][CH2:9][C@H:10]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH2:21]2)[CH2:22][CH2:23]1
|
[CH3:1][CH:2]([CH3:3])[C:4](=[O:5])[NH:6][C@H:7]1[CH2:8][CH2:9][C@H:10]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH2:21]2)[CH2:22][CH2:23]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[NH;D2;+0:5]-[C:4])>>(Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[NH2;D1;+0:5])
|
493dfbb0afd083041fcf14557ee7dc8217381b2f2e0ce03b2961712e
| 1 | 1 |
CCN(CC)CC.Cl.Cl.ClCCl
| 45 |
154,739 | 550,604 | 920,961 |
OC(C(F)(F)F)=O.[F:8][C:9]1[CH:10]=[C:11]([C:15]2[N:20]=[CH:19][C:18]([C:21]([NH:23][C@H:24]3[C@@H:28]([OH:29])[CH2:27][NH:26][CH2:25]3)=[O:22])=[CH:17][N:16]=2)[CH:12]=[CH:13][CH:14]=1.Cl[C:31]1[CH:36]=[C:35]([C:37]([C:39]2[S:40][CH:41]=[CH:42][N:43]=2)=[O:38])[CH:34]=[CH:33][N:32]=1>C(O)CCC>[F:8][C:9]1[CH:10]=[C:11]([C:15]2[N:20]=[CH:19][C:18]([C:21]([NH:23][C@H:24]3[C@@H:28]([OH:29])[CH2:27][N:26]([C:31]4[CH:36]=[C:35]([C:37]([C:39]5[S:40][CH:41]=[CH:42][N:43]=5)=[O:38])[CH:34]=[CH:33][N:32]=4)[CH2:25]3)=[O:22])=[CH:17][N:16]=2)[CH:12]=[CH:13][CH:14]=1
|
|f:0.1|
|
US07582643B2_0240
| 2,009 |
CCCCO.Cl[c:7]1[cH:8][c:9]([C:10](=[O:11])[c:12]2[n:13][cH:14][cH:15][s:16]2)[cH:17][cH:18][n:19]1.O=C(O)C(F)(F)F.[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][NH:6][CH2:20][C@@H:21]1[OH:22])[c:23]1[cH:24][n:25][c:26](-[c:27]2[cH:28][cH:29][cH:30][c:31]([F:32])[cH:33]2)[n:34][cH:35]1>>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][N:6]([c:7]2[cH:8][c:9]([C:10](=[O:11])[c:12]3[n:13][cH:14][cH:15][s:16]3)[cH:17][cH:18][n:19]2)[CH2:20][C@@H:21]1[OH:22])[c:23]1[cH:24][n:25][c:26](-[c:27]2[cH:28][cH:29][cH:30][c:31]([F:32])[cH:33]2)[n:34][cH:35]1
| 0.938685 |
CCCCO.O=C(N[C@@H]1CNC[C@@H]1O)c1cnc(-c2cccc(F)c2)nc1~O=C(O)C(F)(F)F.O=C(c1ccnc(Cl)c1)c1nccs1>>O=C(N[C@@H]1CN(c2cc(C(=O)c3nccs3)ccn2)C[C@@H]1O)c1cnc(-c2cccc(F)c2)nc1
|
CCCCO.O=C(N[C@@H]1CNC[C@@H]1O)c1cnc(-c2cccc(F)c2)nc1.O=C(O)C(F)(F)F.O=C(c1ccnc(Cl)c1)c1nccs1>>O=C(N[C@@H]1CN(c2cc(C(=O)c3nccs3)ccn2)C[C@@H]1O)c1cnc(-c2cccc(F)c2)nc1
|
US07582643B2_0240grants
|
e69b746d35051e2a585df5e17e3a2934c38e050482038a8fc802511e
|
CCCCO.Cl[c:7]1[cH:8][c:9]([C:10](=[O:11])[c:12]2[n:13][cH:14][cH:15][s:16]2)[cH:17][cH:18][n:19]1.O=C(O)C(F)(F)F.[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][NH:6][CH2:20][C@@H:21]1[OH:22])[c:23]1[cH:24][n:25][c:26](-[c:27]2[cH:28][cH:29][cH:30][c:31]([F:32])[cH:33]2)[n:34][cH:35]1
|
[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][N:6]([c:7]2[cH:8][c:9]([C:10](=[O:11])[c:12]3[n:13][cH:14][cH:15][s:16]3)[cH:17][cH:18][n:19]2)[CH2:20][C@@H:21]1[OH:22])[c:23]1[cH:24][n:25][c:26](-[c:27]2[cH:28][cH:29][cH:30][c:31]([F:32])[cH:33]2)[n:34][cH:35]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[N;H0;D3;+0:5](-[C:4])-[C:6])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
d775cf39c89817610201eb77d7f2c05750999ab6870ec4bcf35a0a78
| 1 | 1 |
CCCCO.O=C(O)C(F)(F)F
| 220 |
153,121 | 545,949 | 913,986 |
[C:1]([CH2:4][C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=[O:10])=[CH:7][CH:6]=1)([OH:3])=[O:2].S(Cl)(Cl)=O.[CH3:18]O>>[CH3:18][O:2][C:1](=[O:3])[CH2:4][C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=[O:10])=[CH:7][CH:6]=1
| null |
US07569601B2_0451
| 2,009 |
O=S(Cl)Cl.O[C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[CH3:1][OH:2]>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1
| 0.732324 |
CO.O=C(O)Cc1ccc(C(=O)O)cc1.O=S(Cl)Cl>>COC(=O)Cc1ccc(C(=O)O)cc1
|
CO.O=C(O)Cc1ccc(C(=O)O)cc1.O=S(Cl)Cl>>COC(=O)Cc1ccc(C(=O)O)cc1
|
US07569601B2_0451grants
|
a3370715774fbb2ceb65f3e97c9b511ae02792824bd60c26d14caefa
|
O=S(Cl)Cl.O[C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1.[CH3:1][OH:2]
|
[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]1
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:5]-[C;D1;H3:4])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C;D1;H3:4]-[OH;D1;+0:5])
|
a6871142fd86a88cf89e8dce15586c0c2325bd32f2c5592778c4dcb1
| 1 | 1 |
O=S(Cl)Cl
| 17 |
259,522 | 857,611 | 1,426,996 |
[C:1]1([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([N:13]3[CH2:20][CH:19]4[CH:15]([CH2:16][NH:17][CH2:18]4)[CH2:14]3)[N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Cl:21][C:22]1[CH:23]=[C:24]([C:28]2[C:29]([C:34](O)=[O:35])=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH:25]=[CH:26][CH:27]=1>>[Cl:21][C:22]1[CH:23]=[C:24]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[C:34]([N:17]2[CH2:16][CH:15]3[CH:19]([CH2:20][N:13]([C:9]4[N:8]=[C:7]([C:1]5[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=5)[CH:12]=[CH:11][N:10]=4)[CH2:14]3)[CH2:18]2)=[O:35])[CH:25]=[CH:26][CH:27]=1
| null |
US08653263B2_0810
| 2,014 |
O[C:2](=[O:1])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[cH:10][cH:11][cH:12][c:13]([Cl:14])[cH:15]1.[NH:16]1[CH2:17][CH:18]2[CH2:19][N:20]([c:21]3[n:22][cH:23][cH:24][c:25](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[n:32]3)[CH2:33][CH:34]2[CH2:35]1>>[O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[cH:10][cH:11][cH:12][c:13]([Cl:14])[cH:15]1)[N:16]1[CH2:17][CH:18]2[CH2:19][N:20]([c:21]3[n:22][cH:23][cH:24][c:25](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[n:32]3)[CH2:33][CH:34]2[CH2:35]1
| 0.586835 |
O=C(O)c1ccccc1-c1cccc(Cl)c1.c1ccc(-c2ccnc(N3CC4CNCC4C3)n2)cc1>>O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1
|
O=C(O)c1ccccc1-c1cccc(Cl)c1.c1ccc(-c2ccnc(N3CC4CNCC4C3)n2)cc1>>O=C(c1ccccc1-c1cccc(Cl)c1)N1CC2CN(c3nccc(-c4ccccc4)n3)CC2C1
|
US08653263B2_0810grants
|
2c9011a36d081401a445e04975374df5d06ad0809fce5e2a24e372f4
|
O[C:2](=[O:1])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[cH:10][cH:11][cH:12][c:13]([Cl:14])[cH:15]1.[NH:16]1[CH2:17][CH:18]2[CH2:19][N:20]([c:21]3[n:22][cH:23][cH:24][c:25](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[n:32]3)[CH2:33][CH:34]2[CH2:35]1
|
[O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[cH:10][cH:11][cH:12][c:13]([Cl:14])[cH:15]1)[N:16]1[CH2:17][CH:18]2[CH2:19][N:20]([c:21]3[n:22][cH:23][cH:24][c:25](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[n:32]3)[CH2:33][CH:34]2[CH2:35]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
11438d3fa968bbd8c4f3372ffee303c561281eed4a1be36b1ce3c5b0
| 1 | 1 | null | 44 |
12,491 | 62,502 | 102,410 |
[OH:1][CH:2]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[C:3]([OH:5])=[O:4].[CH3:16][O:17][CH2:18][CH2:19]O.C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[OH:1][CH:2]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[C:3]([O:5][CH2:19][CH2:18][O:17][CH3:16])=[O:4]
| null |
US04363763_
| 1,982 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O[C:13]([CH:11]([CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[OH:12])=[O:14].[OH:15][CH2:16][CH2:17][O:18][CH3:19]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]([OH:12])[C:13](=[O:14])[O:15][CH2:16][CH2:17][O:18][CH3:19]
| 0.581875 |
CCCCCCCCCCC(O)C(=O)O.COCCO.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1>>CCCCCCCCCCC(O)C(=O)OCCOC
|
CCCCCCCCCCC(O)C(=O)O.COCCO.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1>>CCCCCCCCCCC(O)C(=O)OCCOC
|
US04363763_grants
|
9dd392035dec749894ed7d44c715d74adde22eadfbce3cf539a5b589
|
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O[C:13]([CH:11]([CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[OH:12])=[O:14].[OH:15][CH2:16][CH2:17][O:18][CH3:19]
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]([OH:12])[C:13](=[O:14])[O:15][CH2:16][CH2:17][O:18][CH3:19]
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:5]-[C:4])>>(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.Cc1ccccc1
| 17 |
223,400 | 749,516 | 1,233,879 |
[CH3:1][N:2]1[C:6]([C:7]2[CH:8]=[C:9]([C:13]([OH:15])=O)[S:10][C:11]=2[CH3:12])=[C:5]([CH3:16])[CH:4]=[N:3]1.[NH2:17][C@@H:18]([CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[C:34]([C:38]([F:41])([F:40])[F:39])[CH:33]=1)[CH2:19][N:20]1[C:28](=[O:29])[C:27]2[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=2)[C:21]1=[O:30].CC(OC(N[C@H](C(O)=O)CC1C=CC=CC=1C(F)(F)F)=O)(C)C.C1CN([P+](Br)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>C(Cl)(Cl)Cl>[CH3:1][N:2]1[C:6]([C:7]2[CH:8]=[C:9]([C:13]([NH:17][C@@H:18]([CH2:31][C:32]3[CH:37]=[CH:36][CH:35]=[C:34]([C:38]([F:41])([F:39])[F:40])[CH:33]=3)[CH2:19][N:20]3[C:21](=[O:30])[C:22]4[C:27](=[CH:26][CH:25]=[CH:24][CH:23]=4)[C:28]3=[O:29])=[O:15])[S:10][C:11]=2[CH3:12])=[C:5]([CH3:16])[CH:4]=[N:3]1
|
|f:3.4|
|
US08273782B2_1545
| 2,012 |
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O.CCN(C(C)C)C(C)C.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F.O[C:11]([c:10]1[cH:9][c:8](-[c:7]2[c:2]([CH3:1])[cH:3][n:4][n:5]2[CH3:6])[c:39]([CH3:40])[s:38]1)=[O:12].[NH2:13][C@@H:14]([CH2:15][c:16]1[cH:17][cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25]1)[CH2:26][N:27]1[C:28](=[O:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[C:36]1=[O:37]>>[CH3:1][c:2]1[cH:3][n:4][n:5]([CH3:6])[c:7]1-[c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][C@@H:14]([CH2:15][c:16]2[cH:17][cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25]2)[CH2:26][N:27]2[C:28](=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]3[C:36]2=[O:37])[s:38][c:39]1[CH3:40]
| 0.208299 |
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1~F[P-](F)(F)(F)(F)F.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O.CCN(C(C)C)C(C)C.Cc1cnn(C)c1-c1cc(C(=O)O)sc1C.ClC(Cl)Cl.N[C@@H](Cc1cccc(C(F)(F)F)c1)CN1C(=O)c2ccccc2C1=O>>Cc1cnn(C)c1-c1cc(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)CN2C(=O)c3ccccc3C2=O)sc1C
|
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O.CCN(C(C)C)C(C)C.Cc1cnn(C)c1-c1cc(C(=O)O)sc1C.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F.N[C@@H](Cc1cccc(C(F)(F)F)c1)CN1C(=O)c2ccccc2C1=O>>Cc1cnn(C)c1-c1cc(C(=O)N[C@@H](Cc2cccc(C(F)(F)F)c2)CN2C(=O)c3ccccc3C2=O)sc1C
|
US08273782B2_1545grants
|
06ab4f72dadd189fb58839344701c34345515b3556d61db1abc94300
|
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O.CCN(C(C)C)C(C)C.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F.O[C:11]([c:10]1[cH:9][c:8](-[c:7]2[c:2]([CH3:1])[cH:3][n:4][n:5]2[CH3:6])[c:39]([CH3:40])[s:38]1)=[O:12].[NH2:13][C@@H:14]([CH2:15][c:16]1[cH:17][cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25]1)[CH2:26][N:27]1[C:28](=[O:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[C:36]1=[O:37]
|
[CH3:1][c:2]1[cH:3][n:4][n:5]([CH3:6])[c:7]1-[c:8]1[cH:9][c:10]([C:11](=[O:12])[NH:13][C@@H:14]([CH2:15][c:16]2[cH:17][cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25]2)[CH2:26][N:27]2[C:28](=[O:29])[c:30]3[cH:31][cH:32][cH:33][cH:34][c:35]3[C:36]2=[O:37])[s:38][c:39]1[CH3:40]
|
([#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 |
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(F)(F)F)C(=O)O.CCN(C(C)C)C(C)C.ClC(Cl)Cl.F[P-](F)(F)(F)(F)F
| 736 |
289,769 | 944,160 | 1,584,736 |
[C:1]([O:5][C:6]([NH:8][C:9]12[CH2:15][C:12]([C:16]([O:18]C)=[O:17])([CH2:13][CH2:14]1)[CH2:11][CH2:10]2)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>C1COCC1.CO>[C:1]([O:5][C:6]([NH:8][C:9]12[CH2:15][C:12]([C:16]([OH:18])=[O:17])([CH2:11][CH2:10]1)[CH2:13][CH2:14]2)=[O:7])([CH3:4])([CH3:2])[CH3:3]
|
|f:1.2|
|
US08962629B2_0807
| 2,015 |
C1CCOC1.CO.C[O:15][C:13]([C:12]12[CH2:11][CH2:10][C:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])([CH2:17][CH2:16]1)[CH2:18]2)=[O:14].[Na+].[OH-]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]12[CH2:10][CH2:11][C:12]([C:13](=[O:14])[OH:15])([CH2:16][CH2:17]1)[CH2:18]2
| 0.290523 |
C1CCOC1.CO.COC(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2.[Na+]~[OH-]>>CC(C)(C)OC(=O)NC12CCC(C(=O)O)(CC1)C2
|
C1CCOC1.CO.COC(=O)C12CCC(NC(=O)OC(C)(C)C)(CC1)C2.[Na+].[OH-]>>CC(C)(C)OC(=O)NC12CCC(C(=O)O)(CC1)C2
|
US08962629B2_0807grants
|
afe4764d3ce7debc51912149486196b7770eb74fc8a6c570d93f6419
|
C1CCOC1.CO.C[O:15][C:13]([C:12]12[CH2:11][CH2:10][C:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])([CH2:17][CH2:16]1)[CH2:18]2)=[O:14].[Na+].[OH-]
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]12[CH2:10][CH2:11][C:12]([C:13](=[O:14])[OH:15])([CH2:16][CH2:17]1)[CH2:18]2
|
([C:5]-[C:4](-[C:6])(-[C: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:6])-[C:7])
|
5f9f35ee69ba1d8ca146fb477767bb3831800b99139e61ba7a568acb
| 1 | 1 |
C1CCOC1.CO.[Na+].[OH-]
| 361 |
40,173 | 179,197 | 287,854 |
O.[Cl:2][C:3]1[CH:10]=[C:9]([F:11])[C:8]([C:12]2[C:16]([Cl:17])=[C:15]([C:18]([F:21])([F:20])[F:19])[N:14]([CH3:22])[N:13]=2)=[CH:7][C:4]=1[CH:5]=[O:6].[CH2:23](O)[CH2:24][OH:25].C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[Cl:17][C:16]1[C:12]([C:8]2[CH:7]=[C:4]([CH:5]3[O:25][CH2:24][CH2:23][O:6]3)[C:3]([Cl:2])=[CH:10][C:9]=2[F:11])=[N:13][N:14]([CH3:22])[C:15]=1[C:18]([F:21])([F:20])[F:19]
| null |
US05281571_
| 1,994 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O.O[CH2:10][CH2:11][OH:12].[CH3:1][n:2]1[n:3][c:4](-[c:5]2[cH:6][c:7]([CH:8]=[O:9])[c:13]([Cl:14])[cH:15][c:16]2[F:17])[c:18]([Cl:19])[c:20]1[C:21]([F:22])([F:23])[F:24]>>[CH3:1][n:2]1[n:3][c:4](-[c:5]2[cH:6][c:7]([CH:8]3[O:9][CH2:10][CH2:11][O:12]3)[c:13]([Cl:14])[cH:15][c:16]2[F:17])[c:18]([Cl:19])[c:20]1[C:21]([F:22])([F:23])[F:24]
| 0.168726 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.Cn1nc(-c2cc(C=O)c(Cl)cc2F)c(Cl)c1C(F)(F)F.O.OCCO>>Cn1nc(-c2cc(C3OCCO3)c(Cl)cc2F)c(Cl)c1C(F)(F)F
|
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.Cn1nc(-c2cc(C=O)c(Cl)cc2F)c(Cl)c1C(F)(F)F.O.OCCO>>Cn1nc(-c2cc(C3OCCO3)c(Cl)cc2F)c(Cl)c1C(F)(F)F
|
US05281571_grants
|
77cbafefda2b2afac79570759328db8300fef4bf0e0ebf40ee68680d
|
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O.O[CH2:10][CH2:11][OH:12].[CH3:1][n:2]1[n:3][c:4](-[c:5]2[cH:6][c:7]([CH:8]=[O:9])[c:13]([Cl:14])[cH:15][c:16]2[F:17])[c:18]([Cl:19])[c:20]1[C:21]([F:22])([F:23])[F:24]
|
[CH3:1][n:2]1[n:3][c:4](-[c:5]2[cH:6][c:7]([CH:8]3[O:9][CH2:10][CH2:11][O:12]3)[c:13]([Cl:14])[cH:15][c:16]2[F:17])[c:18]([Cl:19])[c:20]1[C:21]([F:22])([F:23])[F:24]
|
([c:6]-[CH;D3;+0:5]1-[O;H0;D2;+0:3]-[C:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:4]-1)>>(O-[CH2;D2;+0:1]-[C:2]-[OH;D1;+0:3]).([O;H0;D1;+0:4]=[CH;D2;+0:5]-[c:6])
|
5ae1b09623a44f8e6f31eee3ffed49bd100521adaf5ad06580aa3f08
| 1 | 1 |
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O
| 117 |
236,307 | 788,890 | 1,304,621 |
F[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=1.[NH:10]1[CH2:15][CH2:14][S:13][CH2:12][CH2:11]1>C(#N)C>[S:13]1[CH2:14][CH2:15][N:10]([C:2]2[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][CH:3]=2)[CH2:11][CH2:12]1
| null |
US08415333B2_0737
| 2,013 |
CC#N.F[c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:14][cH:13]1.[NH:7]1[CH2:8][CH2:9][S:10][CH2:11][CH2:12]1>>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][S:10][CH2:11][CH2:12]2)[cH:13][cH:14]1
| 0.78159 |
C1CSCCN1.CC#N.N#Cc1ccc(F)cc1>>N#Cc1ccc(N2CCSCC2)cc1
|
C1CSCCN1.CC#N.N#Cc1ccc(F)cc1>>N#Cc1ccc(N2CCSCC2)cc1
|
US08415333B2_0737grants
|
03f52b2dfd512a50a3839114b80b8c2bfae65ec0913557c784567afe
|
CC#N.F[c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:14][cH:13]1.[NH:7]1[CH2:8][CH2:9][S:10][CH2:11][CH2:12]1
|
[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][S:10][CH2:11][CH2:12]2)[cH:13][cH:14]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(F-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
d6ea9b633b6bf4e6067258d496eb35f7d14e90bca4edf5fe58c28c1b
| 1 | 1 |
CC#N
| 26 |
155,868 | 553,871 | 926,219 |
C[Si]([C:5]#[C:6][C:7]1[CH:16]=[CH:15][C:10]([O:11][CH2:12][CH2:13][OH:14])=[CH:9][CH:8]=1)(C)C>CCOC(C)=O>[C:6]([C:7]1[CH:16]=[CH:15][C:10]([O:11][CH2:12][CH2:13][OH:14])=[CH:9][CH:8]=1)#[CH:5]
| null |
US07592358B2_0174
| 2,009 |
CCOC(C)=O.C[Si](C)(C)[C:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][OH:10])[cH:11][cH:12]1>>[CH:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][OH:10])[cH:11][cH:12]1
| 0.967965 |
CCOC(C)=O.C[Si](C)(C)C#Cc1ccc(OCCO)cc1>>C#Cc1ccc(OCCO)cc1
|
CCOC(C)=O.C[Si](C)(C)C#Cc1ccc(OCCO)cc1>>C#Cc1ccc(OCCO)cc1
|
US07592358B2_0174grants
|
3af3dd7928454dce1f5a6d578b44c0c6b2c77fe3395b11005657aafb
|
CCOC(C)=O.C[Si](C)(C)[C:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][OH:10])[cH:11][cH:12]1
|
[CH:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][OH:10])[cH:11][cH:12]1
|
([C:2]#[CH;D1;+0:1])>>(C-[Si](-C)(-C)-[C;H0;D2;+0:1]#[C:2])
|
369c1d52dad09f90f7281506a651d2a503963767498d914edaae47e1
| 1 | 1 |
CCOC(C)=O
| 337 |
113,270 | 425,568 | 725,773 |
C([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[CH2:13][N:14]1[C:18]2=[N:19][CH:20]=[CH:21][CH:22]=[C:17]2[C:16]([S:23]([C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([Cl:32])[CH:27]=2)(=[O:25])=[O:24])=[CH:15]1)C1C=CC=CC=1.ClC(OC(Cl)=O)C>ClCCCl>[Cl:32][C:28]1[CH:27]=[C:26]([S:23]([C:16]2[C:17]3[C:18](=[N:19][CH:20]=[CH:21][CH:22]=3)[N:14]([CH2:13][CH:9]3[CH2:10][CH2:11][CH2:12][NH:8]3)[CH:15]=2)(=[O:25])=[O:24])[CH:31]=[CH:30][CH:29]=1
| null |
US07057039B2_0161
| 2,006 |
CC(Cl)OC(=O)Cl.ClCCCl.c1ccc(C[N:19]2[CH:15]([CH2:14][n:13]3[cH:12][c:11]([S:2](=[O:1])(=[O:3])[c:4]4[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]4)[c:25]4[c:20]3[n:21][cH:22][cH:23][cH:24]4)[CH2:16][CH2:17][CH2:18]2)cc1>>[O:1]=[S:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]1)[c:11]1[cH:12][n:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][NH:19]2)[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]12
| 0.758727 |
CC(Cl)OC(=O)Cl.ClCCCl.O=S(=O)(c1cccc(Cl)c1)c1cn(CC2CCCN2Cc2ccccc2)c2ncccc12>>O=S(=O)(c1cccc(Cl)c1)c1cn(CC2CCCN2)c2ncccc12
|
CC(Cl)OC(=O)Cl.ClCCCl.O=S(=O)(c1cccc(Cl)c1)c1cn(CC2CCCN2Cc2ccccc2)c2ncccc12>>O=S(=O)(c1cccc(Cl)c1)c1cn(CC2CCCN2)c2ncccc12
|
US07057039B2_0161grants
|
f9f48db65264cb7554d6668c11319147b976f74eabdf20ee230e951b
|
CC(Cl)OC(=O)Cl.ClCCCl.c1ccc(C[N:19]2[CH:15]([CH2:14][n:13]3[cH:12][c:11]([S:2](=[O:1])(=[O:3])[c:4]4[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]4)[c:25]4[c:20]3[n:21][cH:22][cH:23][cH:24]4)[CH2:16][CH2:17][CH2:18]2)cc1
|
[O:1]=[S:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][c:8]([Cl:9])[cH:10]1)[c:11]1[cH:12][n:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][NH:19]2)[c:20]2[n:21][cH:22][cH:23][cH:24][c:25]12
|
([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 |
CC(Cl)OC(=O)Cl.ClCCCl
| 84 |
125,127 | 460,926 | 780,437 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:6]([CH:9]2[CH2:11][CH2:10]2)=[C:5]([F:12])[C:3]=1[NH2:4].[Br:13]N1C(=O)CCC1=O>CN(C=O)C>[Cl:1][C:2]1[CH:8]=[C:7]([Br:13])[C:6]([CH:9]2[CH2:10][CH2:11]2)=[C:5]([F:12])[C:3]=1[NH2:4]
| null |
US07202364B2_0230
| 2,007 |
CN(C)C=O.O=C1CCC(=O)N1[Br:7].[NH2:1][c:2]1[c:3]([Cl:4])[cH:5][cH:6][c:8]([CH:9]2[CH2:10][CH2:11]2)[c:12]1[F:13]>>[NH2:1][c:2]1[c:3]([Cl:4])[cH:5][c:6]([Br:7])[c:8]([CH:9]2[CH2:10][CH2:11]2)[c:12]1[F:13]
| 0.942913 |
CN(C)C=O.Nc1c(Cl)ccc(C2CC2)c1F.O=C1CCC(=O)N1Br>>Nc1c(Cl)cc(Br)c(C2CC2)c1F
|
CN(C)C=O.Nc1c(Cl)ccc(C2CC2)c1F.O=C1CCC(=O)N1Br>>Nc1c(Cl)cc(Br)c(C2CC2)c1F
|
US07202364B2_0230grants
|
99e2bec987b6f667e03a2730a64c4736553f67cf872df14f57d06246
|
CN(C)C=O.O=C1CCC(=O)N1[Br:7].[NH2:1][c:2]1[c:3]([Cl:4])[cH:5][cH:6][c:8]([CH:9]2[CH2:10][CH2:11]2)[c:12]1[F:13]
|
[NH2:1][c:2]1[c:3]([Cl:4])[cH:5][c:6]([Br:7])[c:8]([CH:9]2[CH2:10][CH2:11]2)[c:12]1[F:13]
|
([Br;H0;D1;+0:1]-[c;H0;D3;+0:3](:[c:2]):[c:4])>>(O=C1-C-C-C(=O)-N-1-[Br;H0;D1;+0:1]).([c:2]:[cH;D2;+0:3]:[c:4])
|
04aac57316494f5621172b80523cd496e017f4d0104703ad33b2fa4b
| 1 | 1 |
CN(C)C=O
| 4 |
321,946 | 1,046,782 | 1,775,979 |
C([O:5][C:6]([CH2:8][CH2:9][O:10][C:11](=[O:51])[C:12]1[CH:17]=[CH:16][C:15]([NH:18][C:19]([C@H:21]2[C@H:25]([C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([Cl:32])[C:27]=3[F:33])[C@:24]([C:36]3[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][C:37]=3[F:43])([C:34]#[N:35])[C@H:23]([CH2:44][C:45]([CH3:48])([CH3:47])[CH3:46])[NH:22]2)=[O:20])=[C:14]([O:49][CH3:50])[CH:13]=1)=[O:7])(C)(C)C.FC(F)(F)C(O)=O>>[C:6]([CH2:8][CH2:9][O:10][C:11](=[O:51])[C:12]1[CH:17]=[CH:16][C:15]([NH:18][C:19]([C@H:21]2[C@H:25]([C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([Cl:32])[C:27]=3[F:33])[C@:24]([C:36]3[CH:41]=[CH:40][C:39]([Cl:42])=[CH:38][C:37]=3[F:43])([C:34]#[N:35])[C@H:23]([CH2:44][C:45]([CH3:46])([CH3:47])[CH3:48])[NH:22]2)=[O:20])=[C:14]([O:49][CH3:50])[CH:13]=1)([OH:7])=[O:5]
| null |
US09371280B2_0198
| 2,016 |
CC(C)(C)[O:13][C:11]([CH2:10][CH2:9][O:8][C:6]([c:5]1[cH:4][c:3]([O:2][CH3:1])[c:16]([NH:17][C:18](=[O:19])[C@@H:20]2[NH:21][C@@H:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C@:28]([C:29]#[N:30])([c:31]3[cH:32][cH:33][c:34]([Cl:35])[cH:36][c:37]3[F:38])[C@H:39]2[c:40]2[cH:41][cH:42][cH:43][c:44]([Cl:45])[c:46]2[F:47])[cH:15][cH:14]1)=[O:7])=[O:12].O=C(O)C(F)(F)F>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]1[NH:17][C:18](=[O:19])[C@@H:20]1[NH:21][C@@H:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C@:28]([C:29]#[N:30])([c:31]2[cH:32][cH:33][c:34]([Cl:35])[cH:36][c:37]2[F:38])[C@H:39]1[c:40]1[cH:41][cH:42][cH:43][c:44]([Cl:45])[c:46]1[F:47]
| 0.53236 |
COc1cc(C(=O)OCCC(=O)OC(C)(C)C)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F.O=C(O)C(F)(F)F>>COc1cc(C(=O)OCCC(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
COc1cc(C(=O)OCCC(=O)OC(C)(C)C)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F.O=C(O)C(F)(F)F>>COc1cc(C(=O)OCCC(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
US09371280B2_0198grants
|
3f87de166b1f89954def6c198ea73ceb4ca8f518aed68648694dac3e
|
CC(C)(C)[O:13][C:11]([CH2:10][CH2:9][O:8][C:6]([c:5]1[cH:4][c:3]([O:2][CH3:1])[c:16]([NH:17][C:18](=[O:19])[C@@H:20]2[NH:21][C@@H:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C@:28]([C:29]#[N:30])([c:31]3[cH:32][cH:33][c:34]([Cl:35])[cH:36][c:37]3[F:38])[C@H:39]2[c:40]2[cH:41][cH:42][cH:43][c:44]([Cl:45])[c:46]2[F:47])[cH:15][cH:14]1)=[O:7])=[O:12].O=C(O)C(F)(F)F
|
[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:14][cH:15][c:16]1[NH:17][C:18](=[O:19])[C@@H:20]1[NH:21][C@@H:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C@:28]([C:29]#[N:30])([c:31]2[cH:32][cH:33][c:34]([Cl:35])[cH:36][c:37]2[F:38])[C@H:39]1[c:40]1[cH:41][cH:42][cH:43][c:44]([Cl:45])[c:46]1[F:47]
|
([C:3]-[C:2](=[O;D1;H0:4])-[OH;D1;+0:1])>>(C-C(-C)(-C)-[O;H0;D2;+0:1]-[C:2](-[C:3])=[O;D1;H0:4])
|
cd4c8dfb74ae00d4ec8387e8837370d2f9fd4ad5e54ff56c9878f839
| 1 | 1 |
O=C(O)C(F)(F)F
| 278 |
199,649 | 681,777 | 1,125,022 |
[CH2:1]([OH:4])[CH2:2][OH:3].[H-].[Na+].Cl[C:8]1[N:13]=[C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:11]=[C:10]([C:20]([OH:22])=[O:21])[CH:9]=1.Cl>C1COCC1>[OH:3][CH2:2][CH2:1][O:4][C:8]1[N:13]=[C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:11]=[C:10]([C:20]([OH:22])=[O:21])[CH:9]=1
|
|f:1.2|
|
US08048881B2_1357
| 2,011 |
C1CCOC1.Cl.Cl[c:6]1[cH:5][c:4]([C:2](=[O:1])[OH:3])[n:19][c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1.[H-].[Na+].[OH:7][CH2:8][CH2:9][OH:10]>>[O:1]=[C:2]([OH:3])[c:4]1[cH:5][c:6]([O:7][CH2:8][CH2:9][OH:10])[n:11][c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:19]1
| 0.602505 |
C1CCOC1.Cl.O=C(O)c1cc(Cl)nc(-c2ccccc2)n1.OCCO.[H-]~[Na+]>>O=C(O)c1cc(OCCO)nc(-c2ccccc2)n1
|
C1CCOC1.Cl.O=C(O)c1cc(Cl)nc(-c2ccccc2)n1.OCCO.[H-].[Na+]>>O=C(O)c1cc(OCCO)nc(-c2ccccc2)n1
|
US08048881B2_1357grants
|
b74be2859a5477eaafc8b611b26a3470afba3c9f0da69be3afda6ef9
|
C1CCOC1.Cl.Cl[c:6]1[cH:5][c:4]([C:2](=[O:1])[OH:3])[n:19][c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:11]1.[H-].[Na+].[OH:7][CH2:8][CH2:9][OH:10]
|
[O:1]=[C:2]([OH:3])[c:4]1[cH:5][c:6]([O:7][CH2:8][CH2:9][OH:10])[n:11][c:12](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:19]1
|
([C:7]-[O;H0;D2;+0:8]-[c;H0;D3;+0:1]1:[#7;a:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1)>>(Cl-[c;H0;D3;+0:1]1:[#7;a:2]:[c:3]:[#7;a:4]:[c:5]:[c:6]:1).([C:7]-[OH;D1;+0:8])
|
5143b901619ce0acc66a8a625982dda04978c2b35cb026eacddddf7e
| 1 | 1 |
C1CCOC1.Cl.[H-].[Na+]
| 653 |
334,967 | 204,610 | null |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:13]=[CH:12][C:11]([CH2:14][N:15]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[CH:17]=[C:16]2[CH3:24])=[CH:10][CH:9]=1.[CH3:25][N:26]1[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1.C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:24][C:16]1[N:15]([CH2:14][C:11]2[CH:12]=[CH:13][C:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[N:29]3[CH2:30][CH2:31][N:26]([CH3:25])[CH2:27][CH2:28]3)=[CH:9][CH:10]=2)[C:23]2[C:18]([CH:17]=1)=[CH:19][CH:20]=[CH:21][CH:22]=2
|
|f:3.4,6.7.8|
|
US20040229874A1_0405
| 2,004 |
Br[c:21]1[c:16](-[c:15]2[cH:14][cH:13][c:12]([CH2:11][n:10]3[c:2]([CH3:1])[cH:3][c:4]4[cH:5][cH:6][cH:7][cH:8][c:9]43)[cH:30][cH:29]2)[cH:17][cH:18][cH:19][cH:20]1.CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].Cc1ccccc1.[NH:22]1[CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][CH2:28]1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>[CH3:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[N:22]2[CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][CH2:28]2)[cH:29][cH:30]1
| 0.784348 |
CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CC(C)(C)[O-]~[Na+].CN1CCNCC1.Cc1cc2ccccc2n1Cc1ccc(-c2ccccc2Br)cc1.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>Cc1cc2ccccc2n1Cc1ccc(-c2ccccc2N2CCN(C)CC2)cc1
|
CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].CN1CCNCC1.Cc1cc2ccccc2n1Cc1ccc(-c2ccccc2Br)cc1.Cc1ccccc1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>Cc1cc2ccccc2n1Cc1ccc(-c2ccccc2N2CCN(C)CC2)cc1
|
US20040229874A1_0405apps
|
6dc0cc9a56f9cca24735dfe61dc126b59c74de68dfb01bb2a5d9338d
|
Br[c:21]1[c:16](-[c:15]2[cH:14][cH:13][c:12]([CH2:11][n:10]3[c:2]([CH3:1])[cH:3][c:4]4[cH:5][cH:6][cH:7][cH:8][c:9]43)[cH:30][cH:29]2)[cH:17][cH:18][cH:19][cH:20]1.CC(=O)[O-].CC(=O)[O-].CC(C)(C)[O-].Cc1ccccc1.[NH:22]1[CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][CH2:28]1.[Na+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1
|
[CH3:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10]1[CH2:11][c:12]1[cH:13][cH:14][c:15](-[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[N:22]2[CH2:23][CH2:24][N:25]([CH3:26])[CH2:27][CH2:28]2)[cH:29][cH:30]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(Br-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
dd2fdbd233407626d24330af0096988c30d6471ee9a6e9d629c560da
| 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
| 294 |
151,303 | 540,530 | 904,948 |
[OH:1][C:2]1[CH:3]=[C:4](/[CH:8]=[CH:9]/[C:10]([OH:12])=O)[CH:5]=[CH:6][CH:7]=1.[CH3:13][N:14]1[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]1.C1C=CC2N(O)N=NC=2C=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN1CCOCC1>C1COCC1>[CH3:13][N:14]1[CH2:19][CH2:18][N:17]([C:10](=[O:12])/[CH:9]=[CH:8]/[C:4]2[CH:3]=[C:2]([OH:1])[CH:7]=[CH:6][CH:5]=2)[CH2:16][CH2:15]1
|
|f:3.4|
|
US07547779B2_1154
| 2,009 |
C1CCOC1.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN1CCOCC1.F[P-](F)(F)(F)(F)F.O[C:6](=[O:7])/[CH:8]=[CH:9]/[c:10]1[cH:11][cH:12][cH:13][c:14]([OH:15])[cH:16]1.On1nnc2ccccc21.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:17][CH2:18]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:6](=[O:7])/[CH:8]=[CH:9]/[c:10]2[cH:11][cH:12][cH:13][c:14]([OH:15])[cH:16]2)[CH2:17][CH2:18]1
| 0.659585 |
C1CCOC1.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN1CCNCC1.CN1CCOCC1.O=C(O)/C=C/c1cccc(O)c1.On1nnc2ccccc21>>CN1CCN(C(=O)/C=C/c2cccc(O)c2)CC1
|
C1CCOC1.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN1CCNCC1.CN1CCOCC1.F[P-](F)(F)(F)(F)F.O=C(O)/C=C/c1cccc(O)c1.On1nnc2ccccc21>>CN1CCN(C(=O)/C=C/c2cccc(O)c2)CC1
|
US07547779B2_1154grants
|
b7fefea4c350660412d9962d7a03a6787bda7832f86066e2224c80a7
|
C1CCOC1.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN1CCOCC1.F[P-](F)(F)(F)(F)F.O[C:6](=[O:7])/[CH:8]=[CH:9]/[c:10]1[cH:11][cH:12][cH:13][c:14]([OH:15])[cH:16]1.On1nnc2ccccc21.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:17][CH2:18]1
|
[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:6](=[O:7])/[CH:8]=[CH:9]/[c:10]2[cH:11][cH:12][cH:13][c:14]([OH:15])[cH:16]2)[CH2:17][CH2:18]1
|
([C:6]-[N;H0;D3;+0:7](-[C:8])-[C;H0;D3;+0:1](=[O;D1;H0:2])/[C:3]=[C:4]/[c:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])/[C:3]=[C:4]/[c:5]).([C:6]-[NH;D2;+0:7]-[C:8])
|
7bb5d1e5ff35e684c4fac03db6cc1c1eba0560a7e5062539fdbb11b3
| 1 | 1 |
C1CCOC1.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN1CCOCC1.F[P-](F)(F)(F)(F)F.On1nnc2ccccc21
| 811 |
334,972 | 204,827 | null |
[CH2:1]([N:3]=[C:4]=[O:5])[CH3:2].[CH:6]12[CH2:14][CH:10]([CH2:11][NH:12][CH2:13]1)[CH2:9][N:8]([CH2:15][C@H:16]([OH:27])[CH2:17][O:18][C:19]1[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[CH:21][CH:20]=1)[CH2:7]2>ClCCl>[C:23]([C:22]1[CH:21]=[CH:20][C:19]([O:18][CH2:17][C@@H:16]([OH:27])[CH2:15][N:8]2[CH2:9][CH:10]3[CH2:14][CH:6]([CH2:13][N:12]([C:4]([NH:3][CH2:1][CH3:2])=[O:5])[CH2:11]3)[CH2:7]2)=[CH:26][CH:25]=1)#[N:24]
| null |
US20040229900A1_0277
| 2,004 |
ClCCl.[CH3:1][CH2:2][N:3]=[C:4]=[O:5].[NH:6]1[CH2:7][CH:8]2[CH2:9][CH:10]([CH2:11][N:12]([CH2:13][C@H:14]([OH:15])[CH2:16][O:17][c:18]3[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]3)[CH2:26]2)[CH2:27]1>>[CH3:1][CH2:2][NH:3][C:4](=[O:5])[N:6]1[CH2:7][CH:8]2[CH2:9][CH:10]([CH2:11][N:12]([CH2:13][C@H:14]([OH:15])[CH2:16][O:17][c:18]3[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]3)[CH2:26]2)[CH2:27]1
| 0.666086 |
CCN=C=O.ClCCl.N#Cc1ccc(OC[C@@H](O)CN2CC3CNCC(C3)C2)cc1>>CCNC(=O)N1CC2CC(CN(C[C@H](O)COc3ccc(C#N)cc3)C2)C1
|
CCN=C=O.ClCCl.N#Cc1ccc(OC[C@@H](O)CN2CC3CNCC(C3)C2)cc1>>CCNC(=O)N1CC2CC(CN(C[C@H](O)COc3ccc(C#N)cc3)C2)C1
|
US20040229900A1_0277apps
|
fb869922987f56b698d383fad8d7dc894db5c8ed84e3bfca7ef13485
|
ClCCl.[CH3:1][CH2:2][N:3]=[C:4]=[O:5].[NH:6]1[CH2:7][CH:8]2[CH2:9][CH:10]([CH2:11][N:12]([CH2:13][C@H:14]([OH:15])[CH2:16][O:17][c:18]3[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]3)[CH2:26]2)[CH2:27]1
|
[CH3:1][CH2:2][NH:3][C:4](=[O:5])[N:6]1[CH2:7][CH:8]2[CH2:9][CH:10]([CH2:11][N:12]([CH2:13][C@H:14]([OH:15])[CH2:16][O:17][c:18]3[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]3)[CH2:26]2)[CH2:27]1
|
([C:5]-[N;H0;D3;+0:6](-[C:7])-[C;H0;D3;+0:3](=[O;D1;H0:4])-[NH;D2;+0:2]-[C:1])>>([C:1]-[N;H0;D2;+0:2]=[C;H0;D2;+0:3]=[O;D1;H0:4]).([C:5]-[NH;D2;+0:6]-[C:7])
|
6de29d1ff4ef0e0fc9374a05ad530c31eb3c06dc14666a3212f0c6e3
| 1 | 1 |
ClCCl
| 437 |
391,869 | 1,189,176 | null |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[C:11]([O:15][C:16]([N:18]1[CH2:22][CH2:21][C@H:20]([O:23][Si:24]([C:27]([CH3:30])([CH3:29])[CH3:28])([CH3:26])[CH3:25])[C@H:19]1[CH2:31][OH:32])=[O:17])([CH3:14])([CH3:13])[CH3:12].C(N(CC)CC)C>C(Cl)Cl>[C:11]([O:15][C:16]([N:18]1[CH2:22][CH2:21][C@H:20]([O:23][Si:24]([C:27]([CH3:30])([CH3:29])[CH3:28])([CH3:26])[CH3:25])[C@H:19]1[CH:31]=[O:32])=[O:17])([CH3:14])([CH3:13])[CH3:12]
| null |
US20120058989A1_0441
| 2,012 |
CCN(CC)CC.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C@H:20]1[CH2:21][OH:22]>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C@H:20]1[CH:21]=[O:22]
| 0.133687 |
CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO.CCN(CC)CC.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl>>CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=O
|
CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO.CCN(CC)CC.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl>>CC(C)(C)OC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=O
|
US20120058989A1_0441apps
|
b34a1e8fd2a9bd6fccbc4a7f8fb6855c7db5325aa1400aa4312412a1
|
CCN(CC)CC.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C@H:20]1[CH2:21][OH:22]
|
[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C@H:20]1[CH:21]=[O:22]
|
([#7:1]-[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4])>>([#7:1]-[C:2]-[CH2;D2;+0:3]-[OH;D1;+0:4])
|
c86f8c1ecc9dec943b561a028f76c22d6bfcd200e6fbdb751c2517af
| 1 | 1 |
CCN(CC)CC.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl
| 610 |
213,251 | 719,163 | 1,183,890 |
[CH2:1]([NH:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[N:14]=[C:15]([N:23]3[CH2:28][CH2:27][O:26][CH2:25][C@@H:24]3[CH2:29][CH3:30])[C:16]3[CH2:22][CH2:21][NH:20][CH2:19][C:17]=3[N:18]=2)=[CH:9][CH:8]=1)=[O:5])[CH3:2].CN(C)C=O.[O:36]1[CH2:39][C:38](=O)[CH2:37]1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>>[CH2:1]([NH:3][C:4]([NH:6][C:7]1[CH:8]=[CH:9][C:10]([C:13]2[N:14]=[C:15]([N:23]3[CH2:28][CH2:27][O:26][CH2:25][C@@H:24]3[CH2:29][CH3:30])[C:16]3[CH2:22][CH2:21][N:20]([CH:38]4[CH2:39][O:36][CH2:37]4)[CH2:19][C:17]=3[N:18]=2)=[CH:11][CH:12]=1)=[O:5])[CH3:2]
|
|f:3.4|
|
US08163763B2_1406
| 2,012 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CN(C)C=O.O=[C:28]1[CH2:29][O:30][CH2:31]1.[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH2:22][CH3:23])[n:24]2)[CH2:25][CH2:26][NH:27][CH2:32]3)[cH:33][cH:34]1.[Na+]>>[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH2:22][CH3:23])[n:24]2)[CH2:25][CH2:26][N:27]([CH:28]2[CH2:29][O:30][CH2:31]2)[CH2:32]3)[cH:33][cH:34]1
| 0.770102 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4CC)n2)CCNC3)cc1.CN(C)C=O.O=C1COC1>>CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4CC)n2)CCN(C2COC2)C3)cc1
|
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4CC)n2)CCNC3)cc1.CN(C)C=O.O=C1COC1.[Na+]>>CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4CC)n2)CCN(C2COC2)C3)cc1
|
US08163763B2_1406grants
|
6fb835cfbf8ca833347e56f2673058b8f24e55055f9c7f464eff1443
|
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CN(C)C=O.O=[C:28]1[CH2:29][O:30][CH2:31]1.[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH2:22][CH3:23])[n:24]2)[CH2:25][CH2:26][NH:27][CH2:32]3)[cH:33][cH:34]1.[Na+]
|
[CH3:1][CH2:2][NH:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10](-[c:11]2[n:12][c:13]3[c:14]([c:15]([N:16]4[CH2:17][CH2:18][O:19][CH2:20][C@@H:21]4[CH2:22][CH3:23])[n:24]2)[CH2:25][CH2:26][N:27]([CH:28]2[CH2:29][O:30][CH2:31]2)[CH2:32]3)[cH:33][cH:34]1
|
([C:5]-[N;H0;D3;+0:6](-[C:7])-[CH;D3;+0:1]1-[C:2]-[#8:3]-[C:4]-1)>>(O=[C;H0;D3;+0:1]1-[C:2]-[#8:3]-[C:4]-1).([C:5]-[NH;D2;+0:6]-[C:7])
|
422db9d9d56b3bc5c1561e0719ce261b3c5ca71e90e9d38c3c13bbf0
| 1 | 1 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CN(C)C=O.[Na+]
| 983 |
96,068 | 372,959 | 637,834 |
[CH3:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]3[O:15][CH2:14][C@H:13]([CH2:16][OH:17])[O:12][C:8]3=2)[N:3]=1.[S:18](Cl)([C:21]1[CH:27]=[CH:26][C:24]([Br:25])=[CH:23][CH:22]=1)(=[O:20])=[O:19].C(N(CC)CC)C.O>C1(C)C=CC=CC=1.C(O)(C)C.CN(C1C=CC=CN=1)C>[Br:25][C:24]1[CH:26]=[CH:27][C:21]([S:18]([O:17][CH2:16][C@@H:13]2[O:12][C:8]3=[C:9]4[C:4](=[CH:5][CH:6]=[C:7]3[O:15][CH2:14]2)[N:3]=[C:2]([CH3:1])[CH:11]=[CH:10]4)(=[O:20])=[O:19])=[CH:22][CH:23]=1
| null |
US06693197B2_
| 2,004 |
CC(C)O.CCN(CC)CC.CN(C)c1ccccn1.Cc1ccccc1.Cl[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]1.O.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][c:10]2[n:11]1)[O:12][CH2:13][C@H:14]([CH2:15][OH:16])[O:27]3>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][c:10]2[n:11]1)[O:12][CH2:13][C@H:14]([CH2:15][O:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]1)[O:27]3
| 0.599234 |
CC(C)O.CCN(CC)CC.CN(C)c1ccccn1.Cc1ccc2c3c(ccc2n1)OC[C@H](CO)O3.Cc1ccccc1.O.O=S(=O)(Cl)c1ccc(Br)cc1>>Cc1ccc2c3c(ccc2n1)OC[C@H](COS(=O)(=O)c1ccc(Br)cc1)O3
|
CC(C)O.CCN(CC)CC.CN(C)c1ccccn1.Cc1ccc2c3c(ccc2n1)OC[C@H](CO)O3.Cc1ccccc1.O.O=S(=O)(Cl)c1ccc(Br)cc1>>Cc1ccc2c3c(ccc2n1)OC[C@H](COS(=O)(=O)c1ccc(Br)cc1)O3
|
US06693197B2_grants
|
6f9d6b78393a7ba24219d7e1341fa4ab63f6e994ceb21adf84168375
|
CC(C)O.CCN(CC)CC.CN(C)c1ccccn1.Cc1ccccc1.Cl[S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]1.O.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][c:10]2[n:11]1)[O:12][CH2:13][C@H:14]([CH2:15][OH:16])[O:27]3
|
[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([cH:8][cH:9][c:10]2[n:11]1)[O:12][CH2:13][C@H:14]([CH2:15][O:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]1)[O:27]3
|
([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 |
CC(C)O.CCN(CC)CC.CN(C)c1ccccn1.Cc1ccccc1.O
| 197 |
11,411 | 58,239 | 94,850 |
[CH2:1]([N:3]1[C:9]2[CH:10]=[CH:11][C:12]([CH:14]([OH:16])[CH3:15])=[CH:13][C:8]=2[C:7]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[F:23])=[N:6][CH2:5][C:4]1=[O:24])[CH3:2].CN(C)C1C=CC=CC=1.[CH3:34][O:35][CH2:36]Cl.Cl>>[CH2:1]([N:3]1[C:9]2[CH:10]=[CH:11][C:12]([CH:14]([O:16][CH2:34][O:35][CH3:36])[CH3:15])=[CH:13][C:8]=2[C:7]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[F:23])=[N:6][CH2:5][C:4]1=[O:24])[CH3:2]
| null |
US04327026_
| 1,982 |
CN(C)c1ccccc1.Cl.Cl[CH2:22][O:23][CH3:24].[CH3:1][CH2:2][N:3]1[C:4](=[O:5])[CH2:6][N:7]=[C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[F:15])[c:16]2[cH:17][c:18]([CH:19]([CH3:20])[OH:21])[cH:25][cH:26][c:27]21>>[CH3:1][CH2:2][N:3]1[C:4](=[O:5])[CH2:6][N:7]=[C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[F:15])[c:16]2[cH:17][c:18]([CH:19]([CH3:20])[O:21][CH2:22][O:23][CH3:24])[cH:25][cH:26][c:27]21
| 0.984485 |
CCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)O)ccc21.CN(C)c1ccccc1.COCCl.Cl>>CCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)OCOC)ccc21
|
CCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)O)ccc21.CN(C)c1ccccc1.COCCl.Cl>>CCN1C(=O)CN=C(c2ccccc2F)c2cc(C(C)OCOC)ccc21
|
US04327026_grants
|
ed569e80e487c5b3035a702181f906e6b17bf92dff6d0f8c4ebefdb9
|
CN(C)c1ccccc1.Cl.Cl[CH2:22][O:23][CH3:24].[CH3:1][CH2:2][N:3]1[C:4](=[O:5])[CH2:6][N:7]=[C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[F:15])[c:16]2[cH:17][c:18]([CH:19]([CH3:20])[OH:21])[cH:25][cH:26][c:27]21
|
[CH3:1][CH2:2][N:3]1[C:4](=[O:5])[CH2:6][N:7]=[C:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[F:15])[c:16]2[cH:17][c:18]([CH:19]([CH3:20])[O:21][CH2:22][O:23][CH3:24])[cH:25][cH:26][c:27]21
|
([#8:2]-[CH2;D2;+0:1]-[O;H0;D2;+0:4]-[C:3])>>(Cl-[CH2;D2;+0:1]-[#8:2]).([C:3]-[OH;D1;+0:4])
|
b16058e06e13e3fc52e1861f743cb43b36208716c35d4f6490a5f00b
| 0.5 | 2 |
CN(C)c1ccccc1.Cl
| 598 |
116,221 | 434,517 | 739,544 |
[N:1]([CH2:4][C:5]([NH:7][CH2:8][C:9](=[O:20])[C:10]1[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[CH:12][C:11]=1[O:18][CH3:19])=[O:6])=[N+:2]=[N-:3].[BH4-].[Na+].C(O)(=O)C>CO>[N:1]([CH2:4][C:5]([NH:7][CH2:8][CH:9]([OH:20])[C:10]1[CH:15]=[C:14]([O:16][CH3:17])[CH:13]=[CH:12][C:11]=1[O:18][CH3:19])=[O:6])=[N+:2]=[N-:3]
|
|f:1.2|
|
US07094928B2_0027
| 2,006 |
CC(=O)O.CO.[BH4-].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH3:8])[c:9]([C:10](=[O:11])[CH2:12][NH:13][C:14](=[O:15])[CH2:16][N:17]=[N+:18]=[N-:19])[cH:20]1.[Na+]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH3:8])[c:9]([CH:10]([OH:11])[CH2:12][NH:13][C:14](=[O:15])[CH2:16][N:17]=[N+:18]=[N-:19])[cH:20]1
| 0.968953 |
CC(=O)O.CO.COc1ccc(OC)c(C(=O)CNC(=O)CN=[N+]=[N-])c1.[BH4-]~[Na+]>>COc1ccc(OC)c(C(O)CNC(=O)CN=[N+]=[N-])c1
|
CC(=O)O.CO.COc1ccc(OC)c(C(=O)CNC(=O)CN=[N+]=[N-])c1.[BH4-].[Na+]>>COc1ccc(OC)c(C(O)CNC(=O)CN=[N+]=[N-])c1
|
US07094928B2_0027grants
|
0244d4e1d4c4a3480a93c98248657c43898f07fff6f2d4b0a54e8db1
|
CC(=O)O.CO.[BH4-].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH3:8])[c:9]([C:10](=[O:11])[CH2:12][NH:13][C:14](=[O:15])[CH2:16][N:17]=[N+:18]=[N-:19])[cH:20]1.[Na+]
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([O:7][CH3:8])[c:9]([CH:10]([OH:11])[CH2:12][NH:13][C:14](=[O:15])[CH2:16][N:17]=[N+:18]=[N-:19])[cH:20]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(=O)O.CO.[BH4-].[Na+]
| 24 |
363,808 | 667,314 | null |
[NH2:1][CH:2]([CH:6]1[CH2:15][CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[C:11]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[CH:12]=2)[CH2:7]1)[C:3](O)=[O:4].[H-].[Al+3].[Li+].[H-].[H-].[H-].[OH-].[Na+].C(OCC)(=O)C>C1COCC1>[NH2:1][CH:2]([CH:6]1[CH2:15][CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[C:11]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[CH:12]=2)[CH2:7]1)[CH2:3][OH:4]
|
|f:1.2.3.4.5.6,7.8|
|
US20090042955A1_0182
| 2,009 |
C1CCOC1.CCOC(C)=O.O=[C:20]([CH:18]([CH:17]1[CH2:16][CH2:15][c:13]2[c:12]([cH:11][cH:10][c:9]([CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[cH:14]2)[CH2:22]1)[NH2:19])[OH:21].[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:14]1)[CH2:15][CH2:16][CH:17]([CH:18]([NH2:19])[CH2:20][OH:21])[CH2:22]2
| 0.712704 |
C1CCOC1.CCCCCCCCc1ccc2c(c1)CCC(C(N)C(=O)O)C2.CCOC(C)=O.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+].[Na+]~[OH-]>>CCCCCCCCc1ccc2c(c1)CCC(C(N)CO)C2
|
C1CCOC1.CCCCCCCCc1ccc2c(c1)CCC(C(N)C(=O)O)C2.CCOC(C)=O.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]>>CCCCCCCCc1ccc2c(c1)CCC(C(N)CO)C2
|
US20090042955A1_0182apps
|
d823943fa97f486fea7ee6ab61503b5450110ebeb5d190b67fc081c0
|
C1CCOC1.CCOC(C)=O.O=[C:20]([CH:18]([CH:17]1[CH2:16][CH2:15][c:13]2[c:12]([cH:11][cH:10][c:9]([CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[cH:14]2)[CH2:22]1)[NH2:19])[OH:21].[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:14]1)[CH2:15][CH2:16][CH:17]([CH:18]([NH2:19])[CH2:20][OH:21])[CH2:22]2
|
([C:2]-[CH2;D2;+0:1]-[O;D1;H1:3])>>(O=[C;H0;D3;+0:1](-[C:2])-[O;D1;H1:3])
|
19ea0b41ce34ad96a8275f097d0c11f47736ca7f973cd7c4aee5b189
| 1 | 1 |
C1CCOC1.CCOC(C)=O.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]
| 231 |
260,767 | 860,879 | 1,431,860 |
[CH:1]1([C:4]2[N:5]=[CH:6][C:7]([O:10][C@H:11]3[CH2:22][N:14]4[CH2:15][CH2:16][N:17]([C:19](Cl)=[O:20])[CH2:18][C@@H:13]4[CH2:12]3)=[N:8][CH:9]=2)[CH2:3][CH2:2]1.[F:23][C:24]([F:34])([F:33])[O:25][C:26]1[CH:27]=[C:28]([OH:32])[CH:29]=[CH:30][CH:31]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH:1]1([C:4]2[N:5]=[CH:6][C:7]([O:10][C@H:11]3[CH2:22][N:14]4[CH2:15][CH2:16][N:17]([C:19]([O:32][C:28]5[CH:29]=[CH:30][CH:31]=[C:26]([O:25][C:24]([F:23])([F:33])[F:34])[CH:27]=5)=[O:20])[CH2:18][C@@H:13]4[CH2:12]3)=[N:8][CH:9]=2)[CH2:3][CH2:2]1
|
|f:2.3.4|
|
US08669255B2_0853
| 2,014 |
CN(C)C=O.Cl[C:2](=[O:1])[N:15]1[CH2:16][CH2:17][N:18]2[CH2:19][C@H:20]([O:21][c:22]3[cH:23][n:24][c:25]([CH:26]4[CH2:27][CH2:28]4)[cH:29][n:30]3)[CH2:31][C@H:32]2[CH2:33]1.O=C([O-])[O-].[K+].[K+].[OH:3][c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14]1>>[O:1]=[C:2]([O:3][c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14]1)[N:15]1[CH2:16][CH2:17][N:18]2[CH2:19][C@H:20]([O:21][c:22]3[cH:23][n:24][c:25]([CH:26]4[CH2:27][CH2:28]4)[cH:29][n:30]3)[CH2:31][C@H:32]2[CH2:33]1
| 0.24025 |
CN(C)C=O.O=C(Cl)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1.O=C([O-])[O-]~[K+]~[K+].Oc1cccc(OC(F)(F)F)c1>>O=C(Oc1cccc(OC(F)(F)F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1
|
CN(C)C=O.O=C(Cl)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1.O=C([O-])[O-].Oc1cccc(OC(F)(F)F)c1.[K+].[K+]>>O=C(Oc1cccc(OC(F)(F)F)c1)N1CCN2C[C@H](Oc3cnc(C4CC4)cn3)C[C@H]2C1
|
US08669255B2_0853grants
|
4a99a00ca5122e3ea2a82bf246f4a512836194b870e5fc0ba33a48f3
|
CN(C)C=O.Cl[C:2](=[O:1])[N:15]1[CH2:16][CH2:17][N:18]2[CH2:19][C@H:20]([O:21][c:22]3[cH:23][n:24][c:25]([CH:26]4[CH2:27][CH2:28]4)[cH:29][n:30]3)[CH2:31][C@H:32]2[CH2:33]1.O=C([O-])[O-].[K+].[K+].[OH:3][c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14]1
|
[O:1]=[C:2]([O:3][c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14]1)[N:15]1[CH2:16][CH2:17][N:18]2[CH2:19][C@H:20]([O:21][c:22]3[cH:23][n:24][c:25]([CH:26]4[CH2:27][CH2:28]4)[cH:29][n:30]3)[CH2:31][C@H:32]2[CH2:33]1
|
([#7:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:4]-[c:5])>>(Cl-[C;H0;D3;+0:1](-[#7:2])=[O;D1;H0:3]).([OH;D1;+0:4]-[c:5])
|
d62d2a2013809b8a4b8434e400eafcf093481a0a444021ef5ad3a5a6
| 1 | 1 |
CN(C)C=O.O=C([O-])[O-].[K+].[K+]
| 425 |
350,765 | 484,937 | null |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[N:10]([C:17]2[CH:22]=[CH:21][C:20]([CH3:23])=[CH:19][CH:18]=2)[CH:11]=[C:12]([C:14]([OH:16])=O)[N:13]=1.[F:24][C:25]1[CH:31]=[CH:30][C:28]([NH2:29])=[CH:27][CH:26]=1.Cl.CN(C)CCCN=C=NCC.N1C=CC=CC=1>C(OCC)(=O)C>[F:24][C:25]1[CH:31]=[CH:30][C:28]([NH:29][C:14]([C:12]2[N:13]=[C:9]([C:4]3[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=3[O:2][CH3:1])[N:10]([C:17]3[CH:22]=[CH:21][C:20]([CH3:23])=[CH:19][CH:18]=3)[CH:11]=2)=[O:16])=[CH:27][CH:26]=1
|
|f:2.3|
|
US20070191448A1_0092
| 2,007 |
CCN=C=NCCCN(C)C.CCOC(C)=O.Cl.O[C:12]([c:11]1[n:10][c:9](-[c:8]2[c:3]([O:2][CH3:1])[cH:4][cH:5][cH:6][cH:7]2)[n:23](-[c:24]2[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]2)[cH:22]1)=[O:13].[NH2:14][c:15]1[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]1.c1ccncc1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22][n:23]1-[c:24]1[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]1
| 0.869491 |
CCN=C=NCCCN(C)C~Cl.CCOC(C)=O.COc1ccccc1-c1nc(C(=O)O)cn1-c1ccc(C)cc1.Nc1ccc(F)cc1.c1ccncc1>>COc1ccccc1-c1nc(C(=O)Nc2ccc(F)cc2)cn1-c1ccc(C)cc1
|
CCN=C=NCCCN(C)C.CCOC(C)=O.COc1ccccc1-c1nc(C(=O)O)cn1-c1ccc(C)cc1.Cl.Nc1ccc(F)cc1.c1ccncc1>>COc1ccccc1-c1nc(C(=O)Nc2ccc(F)cc2)cn1-c1ccc(C)cc1
|
US20070191448A1_0092apps
|
7bc544229332e036b7a60d6801531a253ab7f6a78450bcbc18b0f9f1
|
CCN=C=NCCCN(C)C.CCOC(C)=O.Cl.O[C:12]([c:11]1[n:10][c:9](-[c:8]2[c:3]([O:2][CH3:1])[cH:4][cH:5][cH:6][cH:7]2)[n:23](-[c:24]2[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]2)[cH:22]1)=[O:13].[NH2:14][c:15]1[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]1.c1ccncc1
|
[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22][n:23]1-[c:24]1[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]1
|
([#7;a:4]:[c:3](:[c:5]:[#7;a:6])-[C;H0;D3;+0:1](=[O;D1;H0:2])-[NH;D2;+0:7]-[c:8])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])-[c:3](:[#7;a:4]):[c:5]:[#7;a:6]).([NH2;D1;+0:7]-[c:8])
|
d41fd7a81a4357f80beb1e1a4ab892b9a768ee01c5c7269eed075a1e
| 1 | 1 |
CCN=C=NCCCN(C)C.CCOC(C)=O.Cl.c1ccncc1
| 889 |
159,923 | 566,384 | 945,067 |
[Cl:1][C:2]1[CH:3]=[C:4](/[CH:8]=[CH:9]/[C:10]([OH:12])=O)[CH:5]=[CH:6][CH:7]=1.Cl.Cl.[N:15]1([CH2:21][CH2:22][CH2:23][N:24]2[C:30](=[O:31])[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]1.CCN(CC)CC>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4](/[CH:8]=[CH:9]/[C:10]([N:27]2[CH2:28][CH2:29][C:30](=[O:31])[N:24]([CH2:23][CH2:22][CH2:21][N:15]3[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:25][CH2:26]2)=[O:12])[CH:5]=[CH:6][CH:7]=1
|
|f:1.2.3|
|
US07632829B2_0446
| 2,009 |
CCN(CC)CC.CN(C)C=O.Cl.Cl.O[C:2](=[O:1])/[CH:3]=[CH:4]/[c:5]1[cH:6][cH:7][cH:8][c:9]([Cl:10])[cH:11]1.[NH:12]1[CH2:13][CH2:14][C:15](=[O:16])[N:17]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:27][CH2:28]1>>[O:1]=[C:2](/[CH:3]=[CH:4]/[c:5]1[cH:6][cH:7][cH:8][c:9]([Cl:10])[cH:11]1)[N:12]1[CH2:13][CH2:14][C:15](=[O:16])[N:17]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:27][CH2:28]1
| 0.872046 |
CCN(CC)CC.CN(C)C=O.Cl~Cl~O=C1CCNCCN1CCCN1CCCCC1.O=C(O)/C=C/c1cccc(Cl)c1>>O=C(/C=C/c1cccc(Cl)c1)N1CCC(=O)N(CCCN2CCCCC2)CC1
|
CCN(CC)CC.CN(C)C=O.Cl.Cl.O=C(O)/C=C/c1cccc(Cl)c1.O=C1CCNCCN1CCCN1CCCCC1>>O=C(/C=C/c1cccc(Cl)c1)N1CCC(=O)N(CCCN2CCCCC2)CC1
|
US07632829B2_0446grants
|
ad3d2d3215a88dfe4522b8d90254fb0bd32e48c3a03b4b1b988c69e6
|
CCN(CC)CC.CN(C)C=O.Cl.Cl.O[C:2](=[O:1])/[CH:3]=[CH:4]/[c:5]1[cH:6][cH:7][cH:8][c:9]([Cl:10])[cH:11]1.[NH:12]1[CH2:13][CH2:14][C:15](=[O:16])[N:17]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:27][CH2:28]1
|
[O:1]=[C:2](/[CH:3]=[CH:4]/[c:5]1[cH:6][cH:7][cH:8][c:9]([Cl:10])[cH:11]1)[N:12]1[CH2:13][CH2:14][C:15](=[O:16])[N:17]([CH2:18][CH2:19][CH2:20][N:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:27][CH2:28]1
|
([C:6]-[N;H0;D3;+0:7](-[C:8])-[C;H0;D3;+0:1](=[O;D1;H0:2])/[C:3]=[C:4]/[c:5])>>(O-[C;H0;D3;+0:1](=[O;D1;H0:2])/[C:3]=[C:4]/[c:5]).([C:6]-[NH;D2;+0:7]-[C:8])
|
7bb5d1e5ff35e684c4fac03db6cc1c1eba0560a7e5062539fdbb11b3
| 1 | 1 |
CCN(CC)CC.CN(C)C=O.Cl.Cl
| 811 |
67,894 | 282,834 | 479,660 |
[O:1]([C:8]1[CH:9]=[C:10]([OH:14])[CH:11]=[CH:12][CH:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(C)([O-])C.[K+].Cl[C:22]1[C:27]([N+:28]([O-:30])=[O:29])=[CH:26][CH:25]=[CH:24][N:23]=1>O1CCCC1>[N+:28]([C:27]1[C:22]([O:14][C:10]2[CH:11]=[CH:12][CH:13]=[C:8]([O:1][C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=3)[CH:9]=2)=[N:23][CH:24]=[CH:25][CH:26]=1)([O-:30])=[O:29]
|
|f:1.2|
|
US06096895_
| 2,000 |
C1CCOC1.CC(C)(C)[O-].Cl[c:9]1[c:4]([N+:2](=[O:1])[O-:3])[cH:5][cH:6][cH:7][n:8]1.[K+].[OH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([O:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23]1>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][cH:7][n:8][c:9]1[O:10][c:11]1[cH:12][cH:13][cH:14][c:15]([O:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23]1
| 0.913718 |
C1CCOC1.CC(C)(C)[O-]~[K+].O=[N+]([O-])c1cccnc1Cl.Oc1cccc(Oc2ccccc2)c1>>O=[N+]([O-])c1cccnc1Oc1cccc(Oc2ccccc2)c1
|
C1CCOC1.CC(C)(C)[O-].O=[N+]([O-])c1cccnc1Cl.Oc1cccc(Oc2ccccc2)c1.[K+]>>O=[N+]([O-])c1cccnc1Oc1cccc(Oc2ccccc2)c1
|
US06096895_grants
|
6ed63c83810f98267bc7b9b7a6023d47a9ba65136ce86114e3f2589f
|
C1CCOC1.CC(C)(C)[O-].Cl[c:9]1[c:4]([N+:2](=[O:1])[O-:3])[cH:5][cH:6][cH:7][n:8]1.[K+].[OH:10][c:11]1[cH:12][cH:13][cH:14][c:15]([O:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23]1
|
[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][cH:7][n:8][c:9]1[O:10][c:11]1[cH:12][cH:13][cH:14][c:15]([O:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23]1
|
([#7;a:2]:[c;H0;D3;+0:1](:[c:3])-[O;H0;D2;+0:4]-[c:5])>>(Cl-[c;H0;D3;+0:1](:[#7;a:2]):[c:3]).([OH;D1;+0:4]-[c:5])
|
b2089f895c9c3865a4c9e6f4846c2664b59c6ecfe2c6720268cccbc1
| 1 | 1 |
C1CCOC1.CC(C)(C)[O-].[K+]
| 516 |
27,297 | 126,859 | 204,960 |
[Br:1][CH2:2][CH2:3][CH2:4][C:5]([OH:7])=[O:6].[CH:8]1[C:20]2[CH:19]([CH2:21]O)[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12]=2[CH:11]=[CH:10][CH:9]=1>CN(C)C1C=CN=CC=1.C(Cl)Cl>[CH:8]1[C:20]2[CH:19]([CH2:21][O:6][C:5](=[O:7])[CH2:4][CH2:3][CH2:2][Br:1])[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12]=2[CH:11]=[CH:10][CH:9]=1
| null |
US04891358_
| 1,990 |
CN(C)c1ccncc1.ClCCl.O[C:2](=[O:1])[CH2:3][CH2:4][CH2:5][Br:6].[OH:7][CH2:8][CH:9]1[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2-[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21>>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][Br:6])[O:7][CH2:8][CH:9]1[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2-[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21
| 0.772719 |
CN(C)c1ccncc1.ClCCl.O=C(O)CCCBr.OCC1c2ccccc2-c2ccccc21>>O=C(CCCBr)OCC1c2ccccc2-c2ccccc21
|
CN(C)c1ccncc1.ClCCl.O=C(O)CCCBr.OCC1c2ccccc2-c2ccccc21>>O=C(CCCBr)OCC1c2ccccc2-c2ccccc21
|
US04891358_grants
|
a3430760b99f0a1b32c264ae18bb5235fa0db374f834e7de480d23f0
|
CN(C)c1ccncc1.ClCCl.O[C:2](=[O:1])[CH2:3][CH2:4][CH2:5][Br:6].[OH:7][CH2:8][CH:9]1[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2-[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21
|
[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][Br:6])[O:7][CH2:8][CH:9]1[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2-[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21
|
([C:2]-[C;H0;D3;+0:1](=[O;D1;H0:3])-[O;H0;D2;+0:5]-[C:4])>>(O-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]).([C:4]-[OH;D1;+0:5])
|
a6871142fd86a88cf89e8dce15586c0c2325bd32f2c5592778c4dcb1
| 1 | 1 |
CN(C)c1ccncc1.ClCCl
| 17 |
131,328 | 479,256 | 808,290 |
[N:1]1([CH2:6][CH:7]2[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[F:13][C:14]1[CH:15]=[C:16]([CH:19]=[CH:20][C:21]=1F)[CH:17]=[O:18]>>[F:13][C:14]1[CH:15]=[C:16]([CH:19]=[CH:20][C:21]=1[N:10]1[CH2:11][CH2:12][CH:7]([CH2:6][N:1]2[CH2:5][CH2:4][CH2:3][CH2:2]2)[CH2:8][CH2:9]1)[CH:17]=[O:18]
| null |
US07279491B2_0554
| 2,007 |
F[c:6]1[cH:5][cH:4][c:3]([CH:2]=[O:1])[cH:21][c:19]1[F:20].[NH:7]1[CH2:8][CH2:9][CH:10]([CH2:11][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:17][CH2:18]1>>[O:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][CH:10]([CH2:11][N:12]3[CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17][CH2:18]2)[c:19]([F:20])[cH:21]1
| 0.739315 |
C1CCN(CC2CCNCC2)C1.O=Cc1ccc(F)c(F)c1>>O=Cc1ccc(N2CCC(CN3CCCC3)CC2)c(F)c1
|
C1CCN(CC2CCNCC2)C1.O=Cc1ccc(F)c(F)c1>>O=Cc1ccc(N2CCC(CN3CCCC3)CC2)c(F)c1
|
US07279491B2_0554grants
|
e9d79e97103a2f1db0520eb83333f640f6a07dcca381671aab2dd5ad
|
F[c:6]1[cH:5][cH:4][c:3]([CH:2]=[O:1])[cH:21][c:19]1[F:20].[NH:7]1[CH2:8][CH2:9][CH:10]([CH2:11][N:12]2[CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:17][CH2:18]1
|
[O:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]([N:7]2[CH2:8][CH2:9][CH:10]([CH2:11][N:12]3[CH2:13][CH2:14][CH2:15][CH2:16]3)[CH2:17][CH2:18]2)[c:19]([F:20])[cH:21]1
|
([C:4]-[N;H0;D3;+0:5](-[C:6])-[c;H0;D3;+0:1](:[c:2]):[c:3])>>(F-[c;H0;D3;+0:1](:[c:2]):[c:3]).([C:4]-[NH;D2;+0:5]-[C:6])
|
d6ea9b633b6bf4e6067258d496eb35f7d14e90bca4edf5fe58c28c1b
| 1 | 1 | null | 26 |
4,102 | 21,047 | 27,991 |
[H-].[Na+].[Cl:3][C:4]1[CH:19]=[CH:18][C:7]([O:8][CH2:9][CH:10]([OH:17])[CH2:11][N:12]2[CH:16]=[CH:15][N:14]=[CH:13]2)=[CH:6][CH:5]=1.CN(C)P(N(C)C)(N(C)C)=O.Br[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41]>O>[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([O:8][CH2:9][CH:10]([O:17][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41])[CH2:11][N:12]2[CH:16]=[CH:15][N:14]=[CH:13]2)=[CH:18][CH:19]=1
|
|f:0.1|
|
US04036973_
| 1,977 |
Br[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].CN(C)P(=O)(N(C)C)N(C)C.O.[H-].[Na+].[OH:11][CH:12]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]1)[CH2:22][n:23]1[cH:24][cH:25][n:26][cH:27]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH:12]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]1)[CH2:22][n:23]1[cH:24][cH:25][n:26][cH:27]1
| 0.838444 |
CCCCCCCCCCBr.CN(C)P(=O)(N(C)C)N(C)C.O.OC(COc1ccc(Cl)cc1)Cn1ccnc1.[H-]~[Na+]>>CCCCCCCCCCOC(COc1ccc(Cl)cc1)Cn1ccnc1
|
CCCCCCCCCCBr.CN(C)P(=O)(N(C)C)N(C)C.O.OC(COc1ccc(Cl)cc1)Cn1ccnc1.[H-].[Na+]>>CCCCCCCCCCOC(COc1ccc(Cl)cc1)Cn1ccnc1
|
US04036973_grants
|
a3fd22d86b38139675fdaa0211286b210aa4d41d565cc4fc66a2e4ea
|
Br[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].CN(C)P(=O)(N(C)C)N(C)C.O.[H-].[Na+].[OH:11][CH:12]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]1)[CH2:22][n:23]1[cH:24][cH:25][n:26][cH:27]1
|
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH:12]([CH2:13][O:14][c:15]1[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]1)[CH2:22][n:23]1[cH:24][cH:25][n:26][cH: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
| 1 | 1 |
CN(C)P(=O)(N(C)C)N(C)C.O.[H-].[Na+]
| 95 |
169,853 | 595,774 | 987,449 |
[OH:1][C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([CH:15]=[O:16])[CH:10]=2)=[C:4]([CH3:17])[CH:3]=1.CO.[BH4-].[Na+]>O1CCCC1>[OH:16][CH2:15][C:11]1[CH:10]=[C:9]([C:5]2[C:4]([CH3:17])=[CH:3][C:2]([OH:1])=[CH:7][C:6]=2[CH3:8])[CH:14]=[CH:13][CH:12]=1
|
|f:2.3|
|
US07732626B2_0610
| 2,010 |
C1CCOC1.CO.[BH4-].[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:6][c:7]([CH3:8])[c:9]1-[c:10]1[cH:11][cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17]1.[Na+]>>[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:6][c:7]([CH3:8])[c:9]1-[c:10]1[cH:11][cH:12][cH:13][c:14]([CH2:15][OH:16])[cH:17]1
| 0.978658 |
C1CCOC1.CO.Cc1cc(O)cc(C)c1-c1cccc(C=O)c1.[BH4-]~[Na+]>>Cc1cc(O)cc(C)c1-c1cccc(CO)c1
|
C1CCOC1.CO.Cc1cc(O)cc(C)c1-c1cccc(C=O)c1.[BH4-].[Na+]>>Cc1cc(O)cc(C)c1-c1cccc(CO)c1
|
US07732626B2_0610grants
|
19802b1c4a93fc4d653d685d1ebc3769af4aff93101c39949a90bac6
|
C1CCOC1.CO.[BH4-].[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:6][c:7]([CH3:8])[c:9]1-[c:10]1[cH:11][cH:12][cH:13][c:14]([CH:15]=[O:16])[cH:17]1.[Na+]
|
[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:6][c:7]([CH3:8])[c:9]1-[c:10]1[cH:11][cH:12][cH:13][c:14]([CH2:15][OH:16])[cH:17]1
|
([OH;D1;+0:1]-[CH2;D2;+0:2]-[c:3])>>([O;H0;D1;+0:1]=[CH;D2;+0:2]-[c:3])
|
840c26c06ae3d1e03b5c3844632a3543b6d18e6db9d7ee28fbdda31c
| 1 | 1 |
C1CCOC1.CO.[BH4-].[Na+]
| 356 |
242,912 | 808,732 | 1,339,305 |
[CH2:1]([C:8]1[N:9]=[N:10][C:11]([N:16]2[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]2)=[C:12]([CH3:15])[C:13]=1[CH3:14])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:22]1([N:28]=[C:29]=[O:30])[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>C(Cl)Cl>[C:22]1([NH:28][C:29]([N:19]2[CH2:18][CH2:17][N:16]([C:11]3[N:10]=[N:9][C:8]([CH2:1][C:2]4[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=4)=[C:13]([CH3:14])[C:12]=3[CH3:15])[CH2:21][CH2:20]2)=[O:30])[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1
| null |
US08481542B2_0640
| 2,013 |
ClCCl.[C:18](=[O:19])=[N:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[n:11][n:12][c:13]([N:14]2[CH2:15][CH2:16][NH:17][CH2:27][CH2:28]2)[c:29]1[CH3:30]>>[CH3:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[n:11][n:12][c:13]([N:14]2[CH2:15][CH2:16][N:17]([C:18](=[O:19])[NH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:27][CH2:28]2)[c:29]1[CH3:30]
| 0.839609 |
Cc1c(Cc2ccccc2)nnc(N2CCNCC2)c1C.ClCCl.O=C=Nc1ccccc1>>Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C
|
Cc1c(Cc2ccccc2)nnc(N2CCNCC2)c1C.ClCCl.O=C=Nc1ccccc1>>Cc1c(Cc2ccccc2)nnc(N2CCN(C(=O)Nc3ccccc3)CC2)c1C
|
US08481542B2_0640grants
|
bbeac8c593c1411be23b6c3906e9ee845c2d838e4b4fd54b5d92d023
|
ClCCl.[C:18](=[O:19])=[N:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[n:11][n:12][c:13]([N:14]2[CH2:15][CH2:16][NH:17][CH2:27][CH2:28]2)[c:29]1[CH3:30]
|
[CH3:1][c:2]1[c:3]([CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[n:11][n:12][c:13]([N:14]2[CH2:15][CH2:16][N:17]([C:18](=[O:19])[NH:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:27][CH2:28]2)[c:29]1[CH3:30]
|
([C:1]-[N;H0;D3;+0:2](-[C:3])-[C;H0;D3;+0:5](=[O;D1;H0:4])-[NH;D2;+0:6]-[c:7])>>([C:1]-[NH;D2;+0:2]-[C:3]).([O;D1;H0:4]=[C;H0;D2;+0:5]=[N;H0;D2;+0:6]-[c:7])
|
09f63f034bbf4b29cbba07c3cfc12d8be3ce5a732a0a513d3a933b0e
| 1 | 1 |
ClCCl
| 323 |
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