smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC(=O)C1=NN(C(=C1C)C1=C(C=CC=C1)C(F)(F)F)C>>CN1N=C(C(=C1C1=C(C=CC=C1)C(F)(F)F)C)C(=O)O | 5 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]3[C:10](=[O:22])[NH:11][CH:12]([CH2:13][C:14]4[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[CH:16][CH:15]=4)[C:8]3=[N:7][C:6]=2[CH:23]=1.BrC1C=CC2N=C3C(CC4C=CC(OC)=CC=4)NC(=O)N3C=2C=1.[NH2:47][C@H:48]1[CH2:53][CH2:52][C@H:51]([OH:54])[CH2:50][CH2:49]1>>[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[C:8]([CH:12]([NH:11][C:10]([NH:47][C@H:48]3[CH2:53][CH2:52][C@H:51]([OH:54])[CH2:50][CH2:49]3)=[O:22])[CH2:13][C:14]3[CH:15]=[CH:16][C:17]([O:20][CH3:21])=[CH:18][CH:19]=3)[NH:7][C:6]=2[CH:23]=1 | 2 |
BrC1=CC=C2C(=NN(C2=C1)C)C=1C(=NC(=CC1)OCC1=CC=CC=C1)OCC1=CC=CC=C1.C(C1=CC=CC=C1)N(C1CC(NCC1)=O)C>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C1=CC=CC=C1)N(C1CC(N(CC1)C1=CC=C2C(=NN(C2=C1)C)C=1C(=NC(=CC1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)=O)C | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH3:25])[CH2:9][C:10]([C@H:12]2[CH2:17][CH2:16][C@H:15]([OH:18])[CH2:14][CH2:13]2)=O)=[CH:4][CH:3]=1.Cl.[NH2:27][OH:28].C(=O)([O-])O.[Na+].C(O)C>O>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH3:25])[CH2:9]/[C:10](/[C@H:12]2[CH2:17][CH2:16][C@H:15]([OH:18])[CH2:14][CH2:13]2)=[N:27]\[OH:28])=[CH:4][CH:3]=1 | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CN1C(=NC2=C1C(=CC=C2)OC[C@@H]2CNCCO2)OC2C(NC(CC2)=O)=O>CC#N.CCN(CC)CC>C(C)(C)(C)OC(=O)N1C[C@H](OCC1)COC1=CC=CC=2N=C(N(C21)C)OC2C(NC(CC2)=O)=O | 3 |
OC1CNC1.ClC1=C(C=C(C=N1)C=1C=C(C=CC1C)NC(C1=CC(=CC=C1)C(F)(F)F)=O)C#N>C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC(C(=O)O)(F)F.C(#N)C=1C=C(C=NC1N1CC(C1)O)C=1C=C(C=CC1C)NC(C1=CC(=CC=C1)C(F)(F)F)=O | 3 |
[O:1]1[CH2:5][CH2:4][CH2:3][CH:2]1[CH2:6][NH2:7].C(N(CC)CC)C.[Cl:15][C:16]1[N:21]=[C:20](Cl)[C:19]([F:23])=[CH:18][N:17]=1>CO>[Cl:15][C:16]1[N:21]=[C:20]([NH:7][CH2:6][CH:2]2[CH2:3][CH2:4][CH2:5][O:1]2)[C:19]([F:23])=[CH:18][N:17]=1 | 2 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:8]([C:10]2[CH:15]=[CH:14][CH:13]=[C:12](C)[N:11]=2)=O)[O:5][C:6]=1[CH3:7].[NH3:17].[CH3:18]O>>[CH3:1][C:2]1[CH:3]=[C:4]([OH:5])[C:8]([C:10]2[CH:15]=[C:14]([CH3:18])[CH:13]=[CH:12][N:11]=2)=[N:17][C:6]=1[CH3:7] | 1 |
Br[C:2]1[CH:3]=[C:4]([CH:9]=[CH:10][C:11]=1[CH2:12][NH:13][CH2:14][CH:15]([OH:21])[C:16]([N:18]([CH3:20])[CH3:19])=[O:17])[C:5]([O:7][CH3:8])=[O:6].C([O-])([O-])=O.[K+].[K+]>C(O)(C)C.[Cu]I>[CH3:19][N:18]([CH3:20])[C:16]([CH:15]1[CH2:14][NH:13][CH2:12][C:11]2[CH:10]=[CH:9][C:4]([C:5]([O:7][CH3:8])=[O:6])=[CH:3][C:2]=2[O:21]1)=[O:17] | 2 |
ClC1=CC(=C(C=C1)NC(C(C)(C)C)=O)C(C1=C(C(=CC=C1)C(F)(F)F)OC)=O>>NC1=C(C=C(C=C1)Cl)C(=O)C1=C(C(=CC=C1)C(F)(F)F)OC | 5 |
[Fe:1].[N+:2]([O-:5])([OH:4])=[O:3]>>[N+:2]([O-:5])([O-:4])=[O:3].[Fe+2:1].[N+:2]([O-:5])([O-:4])=[O:3] | 2 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([C:13]([O:15]CC)=[O:14])[CH:7]=[C:8]2[C:12]=1[NH:11][N:10]=[CH:9]2)[CH3:2].[Li+].[OH-]>>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([C:13]([OH:15])=[O:14])[CH:7]=[C:8]2[C:12]=1[NH:11][N:10]=[CH:9]2)[CH3:2] | 1 |
CC(CC(C(=O)O)CSC(C)=O)C.COC(C[C@@H](C(=O)N(CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)CCCCC)N)=O>>SCC(C(=O)N[C@@H](CC(=O)O)C(=O)N(CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)CCCCC)CC(C)C | 5 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[N:10]=[C:11]([CH2:32][CH3:33])[N:12]([C:14]3[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][NH:22][C:23](=O)[O:24]C4C=CC=CC=4)=[CH:16][CH:15]=3)[CH:13]=2)=[CH:5][CH:4]=1)#[N:2].[Cl:34][C:35]1[CH:40]=[CH:39][C:38]([S:41]([NH2:44])(=[O:43])=[O:42])=[CH:37][CH:36]=1>>[Cl:34][C:35]1[CH:36]=[CH:37][C:38]([S:41]([NH:44][C:23]([NH:22][CH2:21][CH2:20][C:17]2[CH:16]=[CH:15][C:14]([N:12]3[CH:13]=[C:9]([C:6]4[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][CH:5]=4)[N:10]=[C:11]3[CH2:32][CH3:33])=[CH:19][CH:18]=2)=[O:24])(=[O:42])=[O:43])=[CH:39][CH:40]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C@H:14]([OH:19])[C:15]([F:18])([F:17])[F:16])[C:11](=[O:20])[N:10]([CH2:21][C:22]([NH:24][C@@:25]([C:37]#[N:38])([C:27]3[CH:32]=[CH:31][CH:30]=[C:29]([C:33]([F:36])([F:35])[F:34])[CH:28]=3)[CH3:26])=[O:23])[N:9]=2)=[CH:4][CH:3]=1.C([Sn](=O)CCCC)CCC.C[Si]([N:53]=[N+:54]=[N-:55])(C)C.CO>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C@H:14]([OH:19])[C:15]([F:16])([F:17])[F:18])[C:11](=[O:20])[N:10]([CH2:21][C:22]([NH:24][C@@:25]([C:37]3[NH:55][N:54]=[N:53][N:38]=3)([C:27]3[CH:32]=[CH:31][CH:30]=[C:29]([C:33]([F:34])([F:35])[F:36])[CH:28]=3)[CH3:26])=[O:23])[N:9]=2)=[CH:4][CH:3]=1 | 2 |
[C:1]([O:5][C:6](=[O:54])[NH:7][CH:8]1[CH2:13][CH2:12][CH2:11][N:10]([CH2:14][C:15]2[NH:16][C:17]([C:20]3[CH:25]=[CH:24][C:23]([C:26]4[CH:31]=[CH:30][C:29]([C:32]5[NH:33][C:34]([CH:37]6[CH2:41][CH2:40][CH2:39][N:38]6[C:42](=[O:52])[CH:43]([NH:47][C:48]([O:50][CH3:51])=[O:49])[CH:44]([CH3:46])[CH3:45])=[N:35][CH:36]=5)=[CH:28][CH:27]=4)=[CH:22][CH:21]=3)=[CH:18][N:19]=2)[C:9]1=[O:53])(C)(C)C.COC(=O)N[CH:59](C(N1CCCC1C1NC(C2C=CC(C3C=CC(C4NC(CN5CCCC(N)C5=O)=NC=4)=CC=3)=CC=2)=CN=1)=O)[CH:60](C)C>>[CH3:1][O:5][C:6](=[O:54])[NH:7][CH:8]1[CH2:13][CH2:12][CH:11]2[N:10]([CH:14]([C:15]3[NH:16][C:17]([C:20]4[CH:21]=[CH:22][C:23]([C:26]5[CH:31]=[CH:30][C:29]([C:32]6[NH:33][C:34]([CH:37]7[CH2:41][CH2:40][CH2:39][N:38]7[C:42](=[O:52])[CH:43]([NH:47][C:48]([O:50][CH3:51])=[O:49])[CH:44]([CH3:45])[CH3:46])=[N:35][CH:36]=6)=[CH:28][CH:27]=5)=[CH:24][CH:25]=4)=[CH:18][N:19]=3)[CH2:59][CH2:60]2)[C:9]1=[O:53] | 1 |
C[C@H]1CN(CCN1)C(=O)OC(C)(C)C.ClC=1C2=C(N(C(N1)=O)C=1C(=NC=CC1C)C(C)C)N=C(C(=C2)Cl)Cl>C1CCCO1.C(C)(C)N(C(C)C)CC>ClC1=CC2=C(N(C(N=C2N2[C@H](CN(CC2)C(=O)OC(C)(C)C)C)=O)C=2C(=NC=CC2C)C(C)C)N=C1Cl | 3 |
FC=1C=C(C=C(C1F)F)C1C(=C(N=C(N1)OC)C)C(C)=O>>FC=1C=C(C=C(C1F)F)C1C(=C(N=C(N1C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])OC)C)C(C)=O | 5 |
C(C)(=O)OC[C@](CCC=1OC(=CC1)C#CCOC1=CC=C(C=C1)Cl)(C)NC(C)=O>C1CCCO1.CO[H].O[Li].O>C(C(=O)O)(=O)O.N[C@@](CO)(CCC=1OC(=CC1)C#CCOC1=CC=C(C=C1)Cl)C | 3 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[C:11]3[C:16]([N:17]=[C:18]4[C:23]=2[CH:22]=[CH:21][CH:20]=[CH:19]4)=[CH:15][CH:14]=[CH:13][CH:12]=3)=[CH:5][CH:4]=1.[OH-].[Na+]>O>[F:2][C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10]2[C:23]3[C:18]([N:17]=[C:16]4[C:11]=2[CH:12]=[CH:13][CH:14]=[CH:15]4)=[CH:19][CH:20]=[CH:21][CH:22]=3)=[CH:7][CH:8]=1 | 2 |
[CH:1]#C.Cl[CH2:4][Cl:5].[Cl-].[Al+3].[Cl-].[Cl-].[O:10]=[C:11]([CH3:18])[CH2:12][CH2:13][CH2:14][C:15](Cl)=[O:16]>C(Cl)(Cl)(Cl)Cl>[Cl:5]/[CH:4]=[CH:1]/[C:15](=[O:16])[CH2:14][CH2:13][CH2:12][C:11](=[O:10])[CH3:18] | 1 |
[CH3:1][O:2][C:3]1[N:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[N:9]=[CH:8][CH:7]=[C:6]2[CH:13]=O.C[Si]([N-][Si](C)(C)C)(C)C.[K+].[CH3:25][C:26](=[O:30])[O:27][CH2:28][CH3:29]>O>[O:27]1[C:26]2([CH2:10][CH2:5][CH:6](/[CH:13]=[CH:13]/[C:6]3[CH:7]=[CH:8][N:9]=[C:10]4[C:5]=3[N:4]=[C:3]([O:2][CH3:1])[CH:12]=[CH:11]4)[CH2:7][CH2:25]2)[O:30][CH2:29][CH2:28]1 | 1 |
C(C=C)Br.ClC1=NC=CC2=CC=C(C=C12)O>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C=C)OC1=CC=C2C=CN=C(C2=C1)Cl | 3 |
ClC(C(=O)OCC)Cl.OC(=O)C(F)(F)F.N[C@@H]([C@H](O)C1=CC=C(C=C1)S(=O)(=NC(C(F)(F)F)=O)C)CF>CO[H].CCN(CC)CC>ClC(C(=O)N[C@@H]([C@@H](C1=CC=C(C=C1)S(=O)(=NC(C(F)(F)F)=O)C)O)CF)Cl | 3 |
[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:16]=[CH:15][C:14]([NH:17][C:18]([C:20]4[N:21]([CH3:29])[C:22]5[C:27]([CH:28]=4)=[CH:26][CH:25]=[CH:24][CH:23]=5)=[O:19])=[C:13]([O:30][CH3:31])[CH:12]=3)=[CH:9][S:10][C:6]=2[C:5](/[CH:32]=[CH:33]/[CH:34]=O)=[CH:4][N:3]=1.[NH:36]1[CH2:41][CH2:40][CH2:39][CH:38]([NH:42]C(=O)OC(C)(C)C)[CH2:37]1.Cl.O1CCOCC1.C(=O)([O-])[O-].[Na+].[Na+]>CO>[NH2:1][C:2]1[C:7]2[C:8]([C:11]3[CH:16]=[CH:15][C:14]([NH:17][C:18]([C:20]4[N:21]([CH3:29])[C:22]5[C:27]([CH:28]=4)=[CH:26][CH:25]=[CH:24][CH:23]=5)=[O:19])=[C:13]([O:30][CH3:31])[CH:12]=3)=[CH:9][S:10][C:6]=2[C:5](/[CH:32]=[CH:33]/[CH2:34][N:36]2[CH2:41][CH2:40][CH2:39][CH:38]([NH2:42])[CH2:37]2)=[CH:4][N:3]=1 | 1 |
[C:1]([C:6]1[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][CH:9]=2)([O:3][CH2:4][CH3:5])=[O:2].Br[C:16]1[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=1.C(=O)([O-])[O-].[K+].[K+]>N1C=CC=CC=1.[Cu]=O>[C:1]([C:6]1[N:7]([C:16]2[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=2)[C:8]2[C:13]([CH:14]=1)=[CH:12][CH:11]=[CH:10][CH:9]=2)([O:3][CH2:4][CH3:5])=[O:2] | 1 |
CC1=CC(=NN1CC1=CC(=CC=2C=C(OC21)C2=CC=CC=C2)S(=O)(=O)C)C(=O)O>>CC1=CC(=NN1CC1=CC(=CC=2C=C(OC21)C2=CC=CC=C2)S(=O)(=O)C)C(=O)Cl | 5 |
ClC=1C=C(CN2N=NC(=C2)C#N)C=C(C1Cl)Cl>>ON=C(N)C=1N=NN(C1)CC1=CC(=C(C(=C1)Cl)Cl)Cl | 5 |
[Cl:1][C:2]1[CH:39]=[CH:38][CH:37]=[CH:36][C:3]=1[O:4][CH:5]1[CH2:10][CH2:9][N:8]([C:11](=[O:35])[CH2:12][NH:13][C:14]([C:16]2[CH:20]=[C:19]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[O:27]CC3C=CC=CC=3)[O:18][N:17]=2)=[O:15])[CH2:7][CH2:6]1>CO.[Pd]>[Cl:1][C:2]1[CH:39]=[CH:38][CH:37]=[CH:36][C:3]=1[O:4][CH:5]1[CH2:10][CH2:9][N:8]([C:11](=[O:35])[CH2:12][NH:13][C:14]([C:16]2[CH:20]=[C:19]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[OH:27])[O:18][N:17]=2)=[O:15])[CH2:7][CH2:6]1 | 1 |
C(C)(C)(C)OC(=O)[C@@]1(CN(C(C1)=O)[C@H](C)C1=CC=CC=C1)CC=C>>C(C)(C)(C)OC(=O)[C@@]1(CN(C(C1)=O)[C@H](C)C1=CC=CC=C1)CC=O | 5 |
[CH:1]1([CH2:4][CH2:5][N:6]2[C:11](=[O:12])[C:10]([C:13]([NH:15][CH2:16][C:17]([O:19]CC)=[O:18])=[O:14])=[C:9]([OH:22])[C:8]([C:23]([O:25]C)=O)=[C:7]2[OH:27])[CH2:3][CH2:2]1.[NH2:28][C:29]1[CH:30]=[N:31][CH:32]=[CH:33][CH:34]=1>C(Cl)(Cl)Cl>[CH:1]1([CH2:4][CH2:5][N:6]2[C:7]([OH:27])=[C:8]([C:23]([NH:28][C:29]3[CH:30]=[N:31][CH:32]=[CH:33][CH:34]=3)=[O:25])[C:9]([OH:22])=[C:10]([C:13]([NH:15][CH2:16][C:17]([OH:19])=[O:18])=[O:14])[C:11]2=[O:12])[CH2:2][CH2:3]1 | 2 |
NO.N1(CCC1)C(=O)N1[C@H](COC2=C(C1)C=CC(=C2)C(=O)OC)C>C1CCCO1.CO[H].[OH-].[Na+]>N1(CCC1)C(=O)N1[C@H](COC2=C(C1)C=CC(=C2)C(=O)NO)C | 3 |
BrC=1C=C2COC(=O)C2=CC1>CCN(CC)CC.CCO[H].C(=C)[B-](F)(F)F.[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(=C)C1=CC2=C(C(OC2)=O)C=C1 | 3 |
ClC(=O)C=1C=CC2=C(SC3=C(CC2=O)C=CC=C3)C1>C1CCCO1.N>O=C1C2=C(SC3=C(C1)C=CC=C3)C=C(C=C2)C(=O)N | 3 |
[C:1](O)(=O)/[CH:2]=[CH:3]/[C:4]([OH:6])=O.[CH3:9][O:10][C:11]1[C:21]2[CH:20]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[CH2:19][CH2:18][N:17]([CH3:28])[CH2:16][C:15]=2[CH:14]=[CH:13][CH:12]=1.P(OP(O)(O)=O)(O)(O)=O.[OH-].[NH4+].Cl[CH2:41]CCl>>[CH3:9][O:10][C:11]1[C:21]2[CH:20]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[CH2:19][CH2:18][N:17]([CH3:28])[CH2:16][C:15]=2[CH:14]=[CH:13][CH:12]=1.[CH3:41][O:6][C:4]1[CH:24]=[CH:23][C:22]2[CH:20]([C:21]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)[CH2:19][CH2:18][N:17]([CH3:16])[CH2:1][C:2]=2[CH:3]=1 | 1 |
C[O:2][C:3]1[CH:17]=[CH:16][C:6]2[N:7]=[C:8]([N:10]3[CH2:15][CH2:14][O:13][CH2:12][CH2:11]3)[S:9][C:5]=2[CH:4]=1.Br>[Br-].C([P+](CCCC)(CCCC)CCCC)CCC.[OH-].[Na+]>[N:10]1([C:8]2[S:9][C:5]3[CH:4]=[C:3]([OH:2])[CH:17]=[CH:16][C:6]=3[N:7]=2)[CH2:11][CH2:12][O:13][CH2:14][CH2:15]1 | 1 |
N1CCC(C(=O)OCC)CC1.ClC1=CC=C(CN2C(=CC=C2)C(=O)O)C=C1>>ClC1=CC=C(CN2C(=CC=C2)C(=O)N2CCC(CC2)C(=O)OCC)C=C1 | 5 |
[CH3:1][O:2][C:3]1[C:4]([O:12][CH2:13][CH2:14][CH3:15])=[C:5]([CH:9]=[CH:10][CH:11]=1)[CH2:6]CN.[C:16](Cl)(=[O:19])[CH:17]=[CH2:18].C[CH2:22][N:23](CC)CC>C(Cl)Cl>[CH3:1][O:2][C:3]1[C:4]([O:12][CH2:13][CH2:14][CH3:15])=[C:5]([CH:9]=[CH:10][CH:11]=1)[CH2:6][N:23]([CH3:22])[C:16](=[O:19])[CH:17]=[CH2:18] | 1 |
[C:1]1([C:7]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([CH2:11][CH2:12][CH2:13][NH:14][CH3:15])[C:8]([NH2:10])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH2:23][CH2:24][C:25]1[CH:30]=[CH:29][C:28]([CH2:31][C:32]([O:34][CH3:35])=[O:33])=[CH:27][CH:26]=1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[C:1]1([C:7]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([CH2:11][CH2:12][CH2:13][N:14]([CH3:15])[CH2:23][CH2:24][C:25]2[CH:30]=[CH:29][C:28]([CH2:31][C:32]([O:34][CH3:35])=[O:33])=[CH:27][CH:26]=2)[C:8]([NH2:10])=[O:9])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(C)(C)C1=C(N(C=2C1=NC(=C(C2)C)C(=O)OC)C(=O)OC(C)(C)C)C=2C=C(C=1N(C2)N=CN1)OC>ClCCl.Cl.O1CCOCC1>C(C)(C)C1=C(NC=2C1=NC(=C(C2)C)C(=O)OC)C=2C=C(C=1N(C2)N=CN1)OC | 3 |
[CH2:1]([O:3][C:4](=[O:7])[CH2:5][NH2:6])[CH3:2].[CH2:8]([O:12][C:13]1[CH:18]=[CH:17][C:16]([S:19](Cl)(=[O:21])=[O:20])=[CH:15][CH:14]=1)[C:9]#[C:10][CH3:11]>C(Cl)(Cl)Cl.N1C=CC=CC=1.CCOCC>[CH2:1]([O:3][C:4](=[O:7])[CH2:5][NH:6][S:19]([C:16]1[CH:15]=[CH:14][C:13]([O:12][CH2:8][C:9]#[C:10][CH3:11])=[CH:18][CH:17]=1)(=[O:21])=[O:20])[CH3:2] | 1 |
ICCCCCCCCCC=C>C(C)OP(OCC)OCC>C(C)OP(=O)(CCCCCCCCCC=C)OCC | 3 |
CC1=CC=C(C=C1)S(=O)(=O)OCCC=1C=NC(=CC1)C.ClC1=CC=C(C=2C3=C(NC12)CCN(CC3)C)Cl>>ClC1=CC=C(C=2C3=C(N(C12)CCC=1C=NC(=CC1)C)CCN(CC3)C)Cl | 5 |
C1(=CC=C(C=C1)C1=C(C=C2C(=N1)N=C(N2COCC[Si](C)(C)C)S(=O)(=O)C)Cl)C2=CC=CC=C2.[Si](C)(C)(C(C)(C)C)O[C@@H]1CO[C@H]2[C@@H]1OCC2CCO>>C1(=CC=C(C=C1)C1=C(C=C2C(=N1)N=C(N2)OCCC2CO[C@H]1[C@@H]2OC[C@H]1O)Cl)C1=CC=CC=C1 | 5 |
[CH3:1][CH:2]([C:11](=[O:21])[CH2:12][C:13]([C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=O)[C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=O.[F:22][C:23]1[C:29]([F:30])=[C:28]([F:31])[C:27]([F:32])=[C:26]([F:33])[C:24]=1[NH2:25]>C1(C)C(C)=CC=CC=1>[CH3:1][C:2]1[C:11](=[O:21])[CH:12]=[C:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[N:25]([C:24]2[C:26]([F:33])=[C:27]([F:32])[C:28]([F:31])=[C:29]([F:30])[C:23]=2[F:22])[C:3]=1[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1 | 1 |
FC1=CC=C(C=N1)C=1N=C2N(C=C(C=C2)OC)C1>CNC>COC=1C=CC=2N(C1)C=C(N2)C=2C=CC(=NC2)N(C)C | 3 |
C(C1=CC=CC=C1)OC(=O)NC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)OC>O.C1CCCO1.Cl.[OH-].[Li+]>C(C1=CC=CC=C1)OC(=O)NC1CC(CN(C1)C(=O)OC(C)(C)C)C(=O)O | 3 |
Cl.C(C1=CC=NC=C1)(=O)Cl.CC1=C(C(=CC(=C1)[N+](=O)[O-])C)C=1N=C(SC1)N>C1(=CC=NC=C1)N(C)C.ClCCl>CC1=C(C(=CC(=C1)[N+](=O)[O-])C)C=1N=C(SC1)NC(C1=CC=NC=C1)=O | 3 |
COCCCOC1=CC(=CC2=C1CCO2)CO>ClCCl.BrN1C(CCC1=O)=O>BrC=1C(=CC2=C(CCO2)C1OCCCOC)CO.BrC1=C(C=C(C=2CCOC21)OCCCOC)CO | 3 |
ClC1=C(CNCC(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1C(F)(F)F.COC(CC1=CC(=CC=C1)CCCCOS(=O)(=O)C1=CC=C(C=C1)C)=O>>ClC1=C(CN(CCCCC=2C=C(C=CC2)CC(=O)O)CC(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1C(F)(F)F | 5 |
CN.O1C2=C(OCC1)C=C(C=C2)C=2N=C(NC2C2=CC(=NC=C2)C)C(=O)OCC>>O1C2=C(OCC1)C=C(C=C2)C2=C(N=C(N2)C(=O)NC)C2=CC(=NC=C2)C | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:14][C:12](=O)[NH:11][C:9]2=[S:10])=[CH:4][CH:3]=1.[CH2:15]([O:17][C:18]1[CH:19]=[C:20]([CH:23]=[CH:24][C:25]=1[OH:26])[CH:21]=O)[CH3:16].C([O-])(=[O:29])C.[NH4+].O>C(O)(=O)C>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:14](=[O:29])[C:12](=[CH:21][C:20]3[CH:23]=[CH:24][C:25]([OH:26])=[C:18]([O:17][CH2:15][CH3:16])[CH:19]=3)[NH:11][C:9]2=[S:10])=[CH:4][CH:3]=1 | 2 |
BrCCBr.C[Si](Cl)(C)C.[CH2:10]([O:17][C:18](=[O:30])[C@@H:19]([NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:20]I)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.I[C:32]1[CH:37]=[CH:36][C:35]([N:38]2[S:42](=[O:44])(=[O:43])[N:41]([CH2:45][C:46]3[CH:51]=[CH:50][C:49]([O:52][CH3:53])=[CH:48][CH:47]=3)[C:40](=[O:54])[CH2:39]2)=[CH:34][CH:33]=1.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.[Cl-].[NH4+]>CN(C=O)C.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].O>[CH2:10]([O:17][C:18](=[O:30])[C@@H:19]([NH:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:20][C:32]1[CH:33]=[CH:34][C:35]([N:38]2[CH2:39][C:40](=[O:54])[N:41]([CH2:45][C:46]3[CH:47]=[CH:48][C:49]([O:52][CH3:53])=[CH:50][CH:51]=3)[S:42]2(=[O:44])=[O:43])=[CH:36][CH:37]=1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 1 |
[CH3:1][N:2]([CH3:7])[CH2:3][CH:4]([OH:6])[CH3:5].[CH3:8][O:9][C:10]1[CH:17]=[CH:16][C:13]([CH2:14][Cl:15])=[CH:12][C:11]=1[N+:18]([O-:20])=[O:19]>O>[Cl-:15].[N+:18]([C:11]1[CH:12]=[C:13]([CH:16]=[CH:17][C:10]=1[O:9][CH3:8])[CH2:14][N+:2]([CH2:3][CH:4]([OH:6])[CH3:5])([CH3:7])[CH3:1])([O-:20])=[O:19] | 1 |
[OH:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH2:4][CH2:5][C:6]2=[O:11].C(N(CC)CC)C.[Si:19](Cl)([C:22]([CH3:25])([CH3:24])[CH3:23])([CH3:21])[CH3:20].O>ClCCl>[Si:19]([O:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH2:4][CH2:5][C:6]2=[O:11])([C:22]([CH3:25])([CH3:24])[CH3:23])([CH3:21])[CH3:20] | 1 |
[C:1]([C:3]1[C:4]([N:17]2[CH2:22][CH2:21][CH:20]([C:23]([OH:25])=O)[CH2:19][CH2:18]2)=[N:5][C:6]([CH:14]([F:16])[F:15])=[C:7]([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH:8]=1)#[N:2].[F:26][C:27]1[CH:32]=[CH:31][CH:30]=[C:29]([F:33])[C:28]=1[CH2:34][S:35]([NH2:38])(=[O:37])=[O:36]>>[C:1]([C:3]1[C:4]([N:17]2[CH2:18][CH2:19][CH:20]([C:23](=[O:25])[NH:38][S:35]([CH2:34][C:28]3[C:29]([F:33])=[CH:30][CH:31]=[CH:32][C:27]=3[F:26])(=[O:36])=[O:37])[CH2:21][CH2:22]2)=[N:5][C:6]([CH:14]([F:15])[F:16])=[C:7]([CH:8]=1)[C:9]([O:11][CH2:12][CH3:13])=[O:10])#[N:2] | 2 |
[NH:1]1[CH2:5][CH2:4][CH2:3][C:2]1=[O:6].Br[C:8]1[CH:13]=[CH:12][C:11]([C:14]([N:16]2[CH2:21][CH2:20][N:19]([C:22]3[C:27]([CH3:28])=[CH:26][C:25]([CH:29]4[CH2:31][CH2:30]4)=[CH:24][N:23]=3)[CH2:18][CH2:17]2)=[O:15])=[C:10]([S:32]([CH3:35])(=[O:34])=[O:33])[CH:9]=1>>[CH:29]1([C:25]2[CH:26]=[C:27]([CH3:28])[C:22]([N:19]3[CH2:20][CH2:21][N:16]([C:14]([C:11]4[CH:12]=[CH:13][C:8]([N:1]5[CH2:5][CH2:4][CH2:3][C:2]5=[O:6])=[CH:9][C:10]=4[S:32]([CH3:35])(=[O:34])=[O:33])=[O:15])[CH2:17][CH2:18]3)=[N:23][CH:24]=2)[CH2:30][CH2:31]1 | 1 |
C(#N)C.[Br:4][C:5]1[CH:6]=[C:7]([C:11]2[C:20]3[C:15](=[N:16][C:17]([CH3:21])=[CH:18][CH:19]=3)[N:14]([CH2:22][CH3:23])[C:13](=[O:24])[C:12]=2[CH:25]2[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]2)[CH:8]=[CH:9][CH:10]=1.Br[CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34].C(N(CC)CC)C>C(OCC)(=O)C>[Br:4][C:5]1[CH:6]=[C:7]([C:11]2[C:20]3[C:15](=[N:16][C:17]([CH3:21])=[CH:18][CH:19]=3)[N:14]([CH2:22][CH3:23])[C:13](=[O:24])[C:12]=2[CH:25]2[CH2:30][CH2:29][N:28]([CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH2:27][CH2:26]2)[CH:8]=[CH:9][CH:10]=1 | 1 |
C1COCCN1.OC1=C(C(=O)OCC)C=CN=C1>>OC=1C=NC=CC1C(=O)N1CCOCC1 | 3 |
[F:1][C:2]([F:17])([F:16])[C:3]([NH:5][C:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH:9]=[N:8][CH:7]=1)=[O:4].C([O-])(O)=O.[Na+]>CC(O)=O.O.O=[Pt]=O>[F:17][C:2]([F:1])([F:16])[C:3]([NH:5][CH:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH2:9][NH:8][CH2:7]1)=[O:4] | 1 |
BrC=1C=C2C(=NC1)C=NN2>C1CCCO1.C(CCC)[Li].ClC(=O)OCC>C(C)OC(=O)C=1C=C2C(=NC1)C=NN2 | 3 |
C1COCCN1.C(C1=CC=CC=C1)C(CCCNC(=O)C1=CC=C2C(=CC=NC2=C1)Cl)C(=O)N1CCC(CC1)(O)CN1C=NC2=CC(=CC=C2C1=O)NC(CCCl)=O>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>C(C1=CC=CC=C1)C(CCCNC(=O)C1=CC=C2C(=CC=NC2=C1)Cl)C(=O)N1CCC(CC1)(CN1C=NC2=CC(=CC=C2C1=O)NC(CCN1CCOCC1)=O)O | 3 |
[I:1]I.[CH2:3]([N:10]1[CH2:18][C:17]2([C:19]([O:21][CH3:22])=[O:20])[CH:12]([C:13](=NN)[CH2:14][CH2:15][CH:16]2[C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:11]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.O.C(OCC)(=O)C>O1CCCC1.C(N(CC)CC)C>[CH2:3]([N:10]1[CH2:18][C:17]2([C:19]([O:21][CH3:22])=[O:20])[CH:12]([C:13]([I:1])=[CH:14][CH2:15][CH:16]2[C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:11]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
COC1=C2C=C(NC2=CC=C1)C(=O)N1C[Si](C[C@H]1C(=O)N[C@H](C(=O)OC)C[C@H]1C(NCCC1)=O)(C)C>CO[H].N>NC([C@H](C[C@H]1C(NCCC1)=O)NC(=O)[C@@H]1C[Si](CN1C(=O)C=1NC2=CC=CC(=C2C1)OC)(C)C)=O | 3 |
NC1=C(C(=O)OC)C=C(C=C1)N(S(=O)(=O)C)C1=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C=C1C1CC1>CC#N.ClN1C(CCC1=O)=O>NC1=C(C(=O)OC)C=C(C=C1Cl)N(S(=O)(=O)C)C1=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C=C1C1CC1 | 3 |
B(O)(O)CCC=1C=C(C=CC1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>N[C@H](C(=O)O)CC1=CC(=CC=C1)CCB(O)O | 3 |
NC=1C=C(C=CC1C)NC(=O)NC1=CC(=NN1C1=CC=C(C=C1)C)C(C)(C)C.ClC1=C(C(=CC=C1)Cl)N1C=C(C=CC1=O)C(=O)O>>C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC=1C=CC(=C(C1)NC(=O)C1=CN(C(C=C1)=O)C1=C(C=CC=C1Cl)Cl)C)C1=CC=C(C=C1)C | 5 |
BrCC(=O)OCC.FC(C1=C(C=CC(=C1)[N+](=O)[O-])O)(F)F>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>C(C)OC(COC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)=O | 3 |
N1(C=NC=C1)C1=CC=C(C=N1)C(C)=O>ClCCl.CCN(CC)CC.BrN1C(CCC1=O)=O.C[Si](C)(C)Br>BrCC(=O)C=1C=CC(=NC1)N1C=NC=C1 | 3 |
C([O-])([O-])=O.[K+].[K+].[CH2:7]([O:9][C:10](=[O:31])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]([C:24]1[CH:29]=[C:28]([OH:30])[CH:27]=[CH:26][N:25]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=1)[CH3:8].I[CH:33]([CH3:35])[CH3:34].CCOC(C)=O>CN(C=O)C.[Cl-].[Na+].O>[CH2:7]([O:9][C:10](=[O:31])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][N:17]([C:24]1[CH:29]=[C:28]([O:30][CH:33]([CH3:35])[CH3:34])[CH:27]=[CH:26][N:25]=1)[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][N:19]=1)[CH3:8] | 1 |
[F:1][C:2]([F:16])([F:15])[C:3]1[N:7]2[CH2:8][CH2:9][NH:10][CH2:11][C:6]2=[C:5]([C:12]([NH2:14])=O)[N:4]=1>P(Cl)(Cl)(Cl)=O>[F:16][C:2]([F:1])([F:15])[C:3]1[N:7]2[CH2:8][CH2:9][NH:10][CH2:11][C:6]2=[C:5]([C:12]#[N:14])[N:4]=1 | 1 |
C[O:2][C:3](=[O:33])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][N:11]2[CH2:16][CH2:15][CH2:14][C:13]([C:25]3[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=3)([C:17]3[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=3)[CH2:12]2)[CH:5]=1.[Li+:34].[OH-]>C1COCC1.CO.O>[CH3:24][O:23][C:20]1[CH:19]=[CH:18][C:17]([C:13]2([C:25]3[CH:26]=[CH:27][C:28]([O:31][CH3:32])=[CH:29][CH:30]=3)[CH2:14][CH2:15][CH2:16][N:11]([CH2:10][C:6]3[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=3)[C:3]([O-:33])=[O:2])[CH2:12]2)=[CH:22][CH:21]=1.[Li+:34] | 2 |
[CH2:1]([OH:4])[C:2]#[CH:3].[Li].[CH2:6](Br)[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21]>O1CCCC1.N>[CH2:1]([OH:4])[C:2]#[C:3][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH3:6] | 1 |
[CH2:1]([C:3]1[S:11][C:6]2=[N:7][CH:8]=[CH:9][CH:10]=[C:5]2[CH:4]=1)[CH3:2].[Cl:12][S:13](O)(=[O:15])=[O:14].P(Cl)(Cl)(Cl)=O.P(Cl)(Cl)(Cl)(Cl)Cl>C(Cl)Cl>[CH2:1]([C:3]1[S:11][C:6]2=[N:7][CH:8]=[CH:9][CH:10]=[C:5]2[C:4]=1[S:13]([Cl:12])(=[O:15])=[O:14])[CH3:2] | 1 |
Cl.N1CC(C1)N(C(OC(C)(C)C)=O)C.BrC1=CC=2C=3N(C(=NC2N=C1)O)N=C(C3)C>C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>BrC1=CC=2C=3N(C(=NC2N=C1)N1CC(C1)N(C(OC(C)(C)C)=O)C)N=C(C3)C | 3 |
CC1=NC2=CC=CC=C2C(=C1)COC1=CC=C(C=NO)C=C1.C(C)(C)(C)[SiH2]OC(C(CO)=C)(C)C>C1CCCO1>C(C)(C)(C)[SiH2]OC(C1(CC(=NO1)C1=CC=C(C=C1)OCC1=CC(=NC2=CC=CC=C12)C)CO)(C)C | 3 |
[CH:1]1([C:7]2[C:15]3[CH:14]=[CH:13][C:12]([C:16]([O:18]C)=[O:17])=[CH:11][C:10]=3[N:9]3[CH2:20][C:21](=O)[C:22]4[C:23]5[C:28]([NH:29][CH:30]=4)=[CH:27][CH:26]=[CH:25][C:24]=5[C:8]=23)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.S(C)C.[OH-].[Na+]>C1COCC1>[CH:1]1([C:7]2[C:15]3[CH:14]=[CH:13][C:12]([C:16]([OH:18])=[O:17])=[CH:11][C:10]=3[N:9]3[CH2:20][CH2:21][C:22]4[C:23]5[C:28]([NH:29][CH:30]=4)=[CH:27][CH:26]=[CH:25][C:24]=5[C:8]=23)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
C1(=CC=CC=C1)CCN.ClCCC(=O)NC1=CC=C(C=C1)C=1CCC(NN1)=O>CCO[H]>C1(=CC=CC=C1)CCNCCC(=O)NC1=CC=C(C=C1)C=1CCC(NN1)=O | 3 |
C(C)(C)(C)OC(=O)N1N=CC2=CC(=CC=C12)N.C(C)OC(=O)C=1C=C(C=CC1)C([C@H]1N(CCCC1)C(=O)OC(C)(C)C)O>CC#N.ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+].C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O>C(C)(C)(C)OC(=O)N1[C@@H](CCCC1)C(OC(=O)NC=1C=C2C=NN(C2=CC1)C(=O)OC(C)(C)C)C1=CC(=CC=C1)C(=O)OCC | 3 |
C(C)OC(=O)C1=C(N(N=C1)C)C(=O)O>>C(C)OC(=O)C=1C=NN(C1C(=O)Cl)C | 5 |
C([Li])CCC.[C:6]([Si:10]([O:13][CH2:14][C:15]1[CH:20]=[C:19]([O:21][CH2:22][CH3:23])[C:18](I)=[C:17]([O:25][CH2:26][CH3:27])[CH:16]=1)([CH3:12])[CH3:11])([CH3:9])([CH3:8])[CH3:7].[C:28]1(=[O:32])[CH2:31][CH2:30][CH2:29]1.C(=O)([O-])O.[Na+].Cl>C(OCC)(=O)C.C1COCC1>[Si:10]([O:13][CH2:14][C:15]1[CH:20]=[C:19]([O:21][CH2:22][CH3:23])[C:18]([C:28]2([OH:32])[CH2:31][CH2:30][CH2:29]2)=[C:17]([O:25][CH2:26][CH3:27])[CH:16]=1)([C:6]([CH3:9])([CH3:8])[CH3:7])([CH3:12])[CH3:11] | 2 |
C([Li])CCC.Br[C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=1.[Br:15][C:16]1[CH:17]=[C:18](/[C:22](/[C:30]2[C:31]([C:36]#[N:37])=[N:32][CH:33]=[CH:34][CH:35]=2)=[N:23]\S(C(C)(C)C)=O)[CH:19]=[CH:20][CH:21]=1>C1COCC1>[Br:15][C:16]1[CH:17]=[C:18]([C:22]2([C:7]3[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=3)[C:30]3[C:31](=[N:32][CH:33]=[CH:34][CH:35]=3)[C:36]([NH2:37])=[N:23]2)[CH:19]=[CH:20][CH:21]=1 | 1 |
COC1=CC=C(C=C1)S(=O)(=O)N(C(C(=O)OC)CCS(=O)(=O)C)CC1=CC=CC=C1>[Na].C[O-].[Na+].Cl.NO>ONC(C(CCS(=O)(=O)C)N(CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(C=C1)OC)=O | 3 |
C(C1=CC=CC=C1)(=O)NC1=CC=C2C=C(C(OC2=C1)=O)C(=O)OCC>CCO[H].[OH-].[Na+]>C(C1=CC=CC=C1)(=O)NC1=CC=C2C=C(C(OC2=C1)=O)C(=O)O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClC1=NN2C(N=CC(=C2C2NCCOC2)C(=O)O)=C1>C1CCCO1.C([O-])([O-])=O.[Na+].[Na+]>C(C)(C)(C)OC(=O)N1C(COCC1)C1=C(C=NC=2N1N=C(C2)Cl)C(=O)O | 3 |
C(N(C(C)C)C(C)C)C.[F:10][C:11]([F:20])([F:19])[C:12]1[CH:13]=[C:14]([SH:18])[CH:15]=[CH:16][CH:17]=1.Br[C:22]1[CH:29]=[CH:28][C:25]([CH:26]=[O:27])=[C:24]([F:30])[CH:23]=1.O>O1CCOCC1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C(Cl)(Cl)Cl.[Pd].[Pd].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2>[F:30][C:24]1[CH:23]=[C:22]([S:18][C:14]2[CH:15]=[CH:16][CH:17]=[C:12]([C:11]([F:10])([F:19])[F:20])[CH:13]=2)[CH:29]=[CH:28][C:25]=1[CH:26]=[O:27] | 1 |
ClC1=C(CNC(=O)C2(CC2)C(=O)OC)C=CC=C1>C1CCCO1.CO[H].[Na+].[BH4-]>ClC1=C(CNC(=O)C2(CC2)CO)C=CC=C1 | 3 |
CNN.FC1=C(C=O)C(=CC(=C1)F)F>C1CCCO1>CN/N=C/C1=C(C=C(C=C1F)F)F | 3 |
[OH-].[Na+].Cl[O-].[Na+].[NH2:6][C:7]1[C:16]([CH3:17])=[CH:15][C:14](Br)=[CH:13][C:8]=1[C:9]([NH:11][CH3:12])=[O:10].C1(C)C=C(C)C=C(C)C=1.[C-]#N.[Na+].[CH2:31]([N:35]1C=CN=C1)CCC.C(N)CN>[Cu]I.O>[NH2:6][C:7]1[C:16]([CH3:17])=[CH:15][C:14]([C:31]#[N:35])=[CH:13][C:8]=1[C:9]([NH:11][CH3:12])=[O:10] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]([CH3:20])[C:10](=[N:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[S:11][CH:12]=2)=[CH:4][C:3]=1[S:21](=[O:26])(=[O:25])[N:22]([CH3:24])[CH3:23].Cl>CO>[ClH:1].[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]([CH3:20])[C:10](=[N:13][C:14]3[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=3)[S:11][CH:12]=2)=[CH:4][C:3]=1[S:21](=[O:26])(=[O:25])[N:22]([CH3:23])[CH3:24] | 1 |
C(C(C)(C)C)(=O)Cl.C1(CCCCC1)C[C@@H]([C@H](C[C@H](CC)C(C)C)O)NC(C(CC=1N=CNC1)NC([C@@H](NC([C@@H]1NCCC1)=O)CC1=CC=CC=C1)=O)=O>C1CCCO1.CCN(CC)CC>C1(CCCCC1)C[C@@H]([C@H](C[C@H](CC)C(C)C)O)NC([C@H](CC=1N=CNC1)NC([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1N(CCCC1)C(C(C)(C)C)=O)=O)=O | 3 |
[CH3:1][CH:2]1[O:7][CH:6]([CH3:8])[CH2:5][NH:4][CH2:3]1.[Cl:9][CH2:10][CH:11]=O.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClCCl>[Cl:9][CH2:10][CH2:11][N:4]1[CH2:5][CH:6]([CH3:8])[O:7][CH:2]([CH3:1])[CH2:3]1 | 2 |
[NH2:1][C:2]1[C:3]([C:12]([NH:14][C@:15]([CH3:24])([C:20]([O:22][CH3:23])=[O:21])[CH2:16][CH:17]([CH3:19])[CH3:18])=[O:13])=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.[N:25]([C:28]1[C:33]([CH3:34])=[CH:32][C:31]([CH3:35])=[CH:30][C:29]=1[CH3:36])=[C:26]=[O:27]>N1C=CC=CC=1>[CH3:24][C@@:15]([C:20]([O:22][CH3:23])=[O:21])([CH2:16][CH:17]([CH3:19])[CH3:18])[NH:14][C:12]([C:3]1[C:2]([NH:1][C:26]([NH:25][C:28]2[C:29]([CH3:36])=[CH:30][C:31]([CH3:35])=[CH:32][C:33]=2[CH3:34])=[O:27])=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=1)=[O:13] | 2 |
CN1C=NC(=C1)S(=O)(=O)Cl.N1CCC(CC1)NC1=NC=C(C(=N1)C=1SC=C(N1)C(=O)N)C(F)(F)F>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>CN1C=NC(=C1)S(=O)(=O)N1CCC(CC1)NC1=NC=C(C(=N1)C=1SC=C(N1)C(=O)N)C(F)(F)F | 3 |
[CH3:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[C:10](=[O:12])[N:9]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[CH3:19])[C:8]([CH2:20][N:21]([CH3:37])[C:22]1[N:30]=[CH:29][N:28]=[C:27]3[C:23]=1[N:24]=[CH:25][N:26]3C1CCCCO1)=[CH:7]2.C([O-])(O)=O.[Na+]>CO>[CH3:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[C:10](=[O:12])[N:9]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[CH3:19])[C:8]([CH2:20][N:21]([CH3:37])[C:22]1[N:30]=[CH:29][N:28]=[C:27]3[C:23]=1[N:24]=[CH:25][NH:26]3)=[CH:7]2 | 1 |
C1(=CC=CC=C1)C=O.C(C1=CC=CC=C1)[N+]#[C-].O([K])C#N.ClC1=CC=C(N)C=C1.C1=CC=[NH+]C=C1.[Cl-]>>C(C1=CC=CC=C1)NC1=NC(N(C1C1=CC=CC=C1)C1=CC=C(C=C1)Cl)=O | 5 |
C(C)(=O)N1CC([C@H](CC1)OC1=C(C=C(C=C1)C1=NC(=NC=N1)NC1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C)C#N)(F)F>>C(C)(=O)N1CC([C@H](CC1)OC1=C(C#N)C=C(C=C1)C1=NC=NC(=N1)NC1=CC=C(C=C1)C1CCNCC1)(F)F | 5 |
[Br:1][CH2:2][C:3]1[C:11]2[C:10](=[O:12])[C:9]([C:13](=[O:17])[CH:14]([CH3:16])[CH3:15])=[CH:8][N:7]([CH2:18][C:19]3[C:24]([F:25])=[CH:23][CH:22]=[CH:21][C:20]=3[F:26])[C:6]=2[S:5][C:4]=1[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.[N+:33]([O-])([O-:35])=[O:34].[Na+].O>CS(O)(=O)=O.C(OCC)(=O)C>[Br:1][CH2:2][C:3]1[C:11]2[C:10](=[O:12])[C:9]([C:13](=[O:17])[CH:14]([CH3:16])[CH3:15])=[CH:8][N:7]([CH2:18][C:19]3[C:20]([F:26])=[CH:21][CH:22]=[CH:23][C:24]=3[F:25])[C:6]=2[S:5][C:4]=1[C:27]1[CH:32]=[CH:31][C:30]([N+:33]([O-:35])=[O:34])=[CH:29][CH:28]=1 | 1 |
CC(C)(C)OC([C@@H](N)CC1=CC=CC=C1)=O.FC1=CC2=C(SC(=C2)C(=O)N[C@@H](C(=O)O)CC2=CC=CC=C2)C=C1>>FC1=CC2=C(SC(=C2)C(=O)N[C@H](C(=O)O)CC2=CC=CC=C2)C=C1 | 3 |
[Cl:1][C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([OH:13])=O)[CH:10]=2)[CH:7]=1.[F:14][C:15]1[C:20]([C:21]2[N:22]=[C:23]3[CH2:28][NH:27][CH2:26][CH2:25][N:24]3[CH:29]=2)=[CH:19][CH:18]=[CH:17][N:16]=1>>[Cl:1][C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([N:27]3[CH2:26][CH2:25][N:24]4[CH:29]=[C:21]([C:20]5[C:15]([F:14])=[N:16][CH:17]=[CH:18][CH:19]=5)[N:22]=[C:23]4[CH2:28]3)=[O:13])[CH:10]=2)[CH:7]=1 | 2 |
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