smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH:7]=O)=[CH:5][CH:4]=1.[CH2:11]([NH2:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClC(Cl)C>[CH2:11]([NH:18][CH2:7][C:6]1[CH:9]=[CH:10][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
[C:1](OCC)(=[O:6])[CH2:2][C:3]([CH3:5])=O.[Cl:10][C:11]1[CH:12]=[C:13]([NH:17][C:18]2[CH2:22][C:21](=[O:23])[N:20]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[N:19]=2)[CH:14]=[CH:15][CH:16]=1>C(O)(=O)C>[Cl:10][C:11]1[CH:12]=[C:13]([N:17]2[C:1](=[O:6])[CH:2]=[C:3]([CH3:5])[C:22]3[C:21](=[O:23])[N:20]([C:24]4[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=4)[NH:19][C:18]2=3)[CH:14]=[CH:15][CH:16]=1 | 1 |
CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N>[HH].[HH].[Pd].C(CCC)O>CC1=C(C=CC=C1)C1=CC=C(C=C1)C | 3 |
C(C1=CC=CC=C1)N1C[C@@H](N[C@@H](C1)C)C.C1(CCCCC1)C=1C=2C=CC(=CC2N2C1C1=C(C=C(C2)C(=O)O)C=C(C=C1)OC)C(NS(=O)(=O)N(C)C)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)N1C[C@H](N([C@H](C1)C)C(=O)C=1CN2C(C3=C(C1)C=C(C=C3)OC)=C(C=3C=CC(=CC32)C(=O)NS(=O)(=O)N(C)C)C3CCCCC3)C | 3 |
[C:1]([C:4]1[C:12]2[C:7](=[N:8][CH:9]=[CH:10][CH:11]=2)[N:6]([CH2:13][C:14]([N:16]2[C@H:21]([C:22](=[O:33])[NH:23][C@@H:24]3[CH2:26][C@H:25]3[C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[CH2:20][C@:19]3([CH2:34][O:35]C(=O)CN4C5=NC=CC=C5C(C(=O)C)=N4)[C@H:17]2[CH2:18]3)=[O:15])[N:5]=1)(=[O:3])[CH3:2].[OH-].[Na+].C([O-])(O)=O.[Na+]>C1COCC1>[C:27]1([C@@H:25]2[CH2:26][C@H:24]2[NH:23][C:22]([C@@H:21]2[CH2:20][C@:19]3([CH2:34][OH:35])[C@@H:17]([CH2:18]3)[N:16]2[C:14](=[O:15])[CH2:13][N:6]2[C:7]3=[N:8][CH:9]=[CH:10][CH:11]=[C:12]3[C:4]([C:1](=[O:3])[CH3:2])=[N:5]2)=[O:33])[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[C:12](=[O:23])[O:13][C:14]3[C:19]([C:20]=2[CH3:21])=[CH:18][CH:17]=[C:16]([OH:22])[CH:15]=3)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].[I-].C[N+]1C=CN([C:31]([N:33]2[CH2:38][CH2:37][O:36][CH2:35][CH2:34]2)=[O:32])C=1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[C:12](=[O:23])[O:13][C:14]3[C:19]([C:20]=2[CH3:21])=[CH:18][CH:17]=[C:16]([O:22][C:31]([N:33]2[CH2:38][CH2:37][O:36][CH2:35][CH2:34]2)=[O:32])[CH:15]=3)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10] | 1 |
BrC1=CC(=C(N(CC(C)C)C2CCCCC2)C=C1F)[N+](=O)[O-]>O.CCO[H].[Zn].[Cl-].[NH4+]>BrC=1C=C(C(=CC1F)N(CC(C)C)C1CCCCC1)N | 3 |
C(#N)C1=CC=C(C=C1)NC(=O)C1C(C2(C(N1)CC(C)(C)C)C(NC1=CC(=CC=C12)Cl)=O)C1=C(C(=CC=C1)Br)F>>C(N)(=O)C1=CC=C(C=C1)NC(=O)C1C(C2(C(N1)CC(C)(C)C)C(NC1=CC(=CC=C12)Cl)=O)C1=C(C(=CC=C1)Br)F | 5 |
FC1=CC=C(C=C1)N1N=CC2=CC(=CC=C12)I.Cl.N[C@H]([C@H](O)C1=CC2=CC=CC=C2C=C1)C>>Cl.FC1=CC=C(C=C1)N1N=CC2=CC(=CC=C12)O[C@@H]([C@H](C)N)C1=CC2=CC=CC=C2C=C1.C(C)(C)(C)OC.Cl | 5 |
C1(=CC=CC=C1)C1=CC=C(C=C1)C1=C(C=NO1)C(=O)OCC>C1CCCO1.CC(C)C[AlH]CC(C)C>C1(=CC=CC=C1)C1=CC=C(C=C1)C1=C(C=NO1)CO | 3 |
[CH:1]1([NH:4][S:5]([C:8]2[CH:13]=[CH:12][C:11]([C:14]3[C:26](=[O:27])[N:25]([CH2:28][CH3:29])[C:17]4[N:18]=[C:19](S(C)=O)[N:20]=[CH:21][C:16]=4[CH:15]=3)=[C:10]([CH3:30])[CH:9]=2)(=[O:7])=[O:6])[CH2:3][CH2:2]1.[CH3:31][N:32]1[CH2:37][CH2:36][CH:35]([CH2:38][CH2:39][NH2:40])[CH2:34][CH2:33]1.CCN(C(C)C)C(C)C>C1COCC1>[CH:1]1([NH:4][S:5]([C:8]2[CH:13]=[CH:12][C:11]([C:14]3[C:26](=[O:27])[N:25]([CH2:28][CH3:29])[C:17]4[N:18]=[C:19]([NH:40][CH2:39][CH2:38][CH:35]5[CH2:36][CH2:37][N:32]([CH3:31])[CH2:33][CH2:34]5)[N:20]=[CH:21][C:16]=4[CH:15]=3)=[C:10]([CH3:30])[CH:9]=2)(=[O:6])=[O:7])[CH2:3][CH2:2]1 | 2 |
C(#C)[C@]1(C(N(CC1)C)=O)O.BrC=1C=C(C=CC1)N1N=C(C=2NC(C=CC21)=O)C(=O)N>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC>O[C@@]1(C(N(CC1)C)=O)C#CC=1C=C(C=CC1)N1N=C(C=2NC(C=CC21)=O)C(=O)N | 3 |
[CH3:1][C:2]1[O:6][C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[N:4][C:3]=1[CH2:13][CH2:14][O:15][C:16]1[C:24]2[CH:23]=[CH:22][S:21][C:20]=2[C:19]([CH:25]=[C:26]2[S:30][C:29](=[O:31])[NH:28][C:27]2=[O:32])=[CH:18][CH:17]=1.N1C=C(C(O)=O)C=C(C(O)=O)C=1.C1(C)C=C(C)C=C(C)C=1>>[CH3:1][C:2]1[O:6][C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[N:4][C:3]=1[CH2:13][CH2:14][O:15][C:16]1[C:24]2[CH:23]=[CH:22][S:21][C:20]=2[C:19]([CH2:25][CH:26]2[S:30][C:29](=[O:31])[NH:28][C:27]2=[O:32])=[CH:18][CH:17]=1 | 1 |
[Br:1][C:2]1[N:7]2[N:8]=[C:9]([CH2:11][CH3:12])[CH:10]=[C:6]2[CH:5]=[CH:4][CH:3]=1.F[B-](F)(F)F.[O:18]=[N+:19]=[O:20].C(OCC)(=O)C>C(#N)C>[Br:1][C:2]1[N:7]2[N:8]=[C:9]([CH2:11][CH3:12])[C:10]([N+:19]([O-:20])=[O:18])=[C:6]2[CH:5]=[CH:4][CH:3]=1 | 1 |
NC1=CC=C(C=C1)C.BrC1=C(C=C(C=C1)C1=NC2=C(N1CCC)C(=CC=C2)Cl)Cl>>ClC1=C(C=CC(=C1)C1=NC2=C(N1CCC)C(=CC=C2)Cl)NC2=CC=C(C=C2)C | 5 |
C1(=CC=CC=C1)S(=O)(=O)Cl.ClC1=C(N=C2N1C=C(C=C2)C(F)(F)F)NC(OC(C)(C)C)=O>>C(C)(C)(C)OC(=O)N(S(=O)(=O)C1=CC=CC=C1)C=1N=C2N(C=C(C=C2)C(F)(F)F)C1Cl | 5 |
C1(=CC=C(C=C1)S(=O)(=O)N)C.C1=C(C=CC2=CC=CC=C12)CO>C1(=CC=CC=C1)C.[OH-].[K+]>CC1=CC=C(C=C1)S(=O)(=O)NCC1=CC2=CC=CC=C2C=C1 | 3 |
C1(=CC=CC=C1)C=O.N[C@@H]1CC[C@H](CC1)NC1=CC(=C(C(=O)N)C=C1)OC>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>C(C1=CC=CC=C1)N[C@@H]1CC[C@H](CC1)NC1=CC(=C(C(=O)N)C=C1)OC | 3 |
C(C)(C)(C)OC(=O)N[C@H]1CNCC1.ClC1=NC=CC(=C1)OCC(F)(F)F>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+].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].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>Cl.FC(COC1=CC(=NC=C1)N1C[C@@H](CC1)N)(F)F | 3 |
BrC1=NC2=CC=C(C=C2C=C1B(O)O)OC>>BrC1=NC2=CC=C(C=C2C=C1O)OC | 5 |
[C:1]([O:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([C:14]2[C:15]([C:29]([O:31][CH2:32][CH3:33])=[O:30])=[N:16][N:17]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[C:18]=2[CH2:19][CH2:20][CH2:21][CH3:22])=[C:10]([C:34]([N:36]2[CH2:45][CH2:44][C:43]3[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=3)[CH2:37]2)=[O:35])[CH:9]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[O:46](C1C=CC(N/N=C/C(OCC)=O)=CC=1)[C:47]1[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=1.[N+](C(CCCC)=CC1C=CC(C(OC(C)(C)C)=O)=CC=1C(N1CCC2C(=CC=CC=2)C1)=O)([O-])=O>>[C:1]([O:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([C:14]2[C:15]([C:29]([O:31][CH2:32][CH3:33])=[O:30])=[N:16][N:17]([C:23]3[CH:28]=[CH:27][C:26]([O:46][C:47]4[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=4)=[CH:25][CH:24]=3)[C:18]=2[CH2:19][CH2:20][CH2:21][CH3:22])=[C:10]([C:34]([N:36]2[CH2:45][CH2:44][C:43]3[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=3)[CH2:37]2)=[O:35])[CH:9]=1)=[O:7])([CH3:3])([CH3:4])[CH3:2] | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[C:11]3[C:18]([CH3:19])=[CH:17][O:16][C:12]=3[N:13]=[CH:14][N:15]=2)=[CH:5][CH:4]=1.[H-].[Na+].S(OC)(O[CH3:26])(=O)=O.Cl>CO.C(Cl)(Cl)Cl.CN(C=O)C>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([N:9]([CH3:26])[C:10]2[C:11]3[C:18]([CH3:19])=[CH:17][O:16][C:12]=3[N:13]=[CH:14][N:15]=2)=[CH:7][CH:8]=1 | 1 |
N1(CCNCCC1)CC(=O)N[C@H](CCCNC(OC(C)(C)C)=O)C(=O)NC1CC2=CC=CC=C2C1>>N1(CCNCCC1)CC(=O)N[C@@H](C(=O)NC1CC2=CC=CC=C2C1)CCCN | 5 |
IC1=CC=C(C=C1)C1=CC=CC=C1.C1(=CC=CC2=CC=CC=C12)NC1=CC(=CC(=C1)NC1=CC=CC2=CC=CC=C12)NC1=CC=CC2=CC=CC=C12>>C1(=CC=C(C=C1)N(C1=CC=CC2=CC=CC=C12)C1=CC(=CC(=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C12)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C12)C1=CC=CC=C1 | 5 |
[F:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[N:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)[NH2:5].C[Al](C)C.[NH:19](/[C:23](/[CH3:29])=[CH:24]\[C:25](OC)=[O:26])[C:20]([CH3:22])=O>C(Cl)Cl>[F:1][C:2]1[CH:3]=[C:4]([N:5]2[C:25](=[O:26])[CH:24]=[C:23]([CH3:29])[N:19]=[C:20]2[CH3:22])[CH:6]=[CH:7][C:8]=1[N:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1 | 1 |
[CH2:1]=[CH:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1>C1(C)C=CC=CC=1>[CH2:1]=[CH:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[C:3]1([CH3:2])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
Br[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[N:4][CH:3]=1.[CH3:16][O:17][C:18]1[CH:27]=[C:26]2[C:21]([CH2:22][CH2:23][NH:24][C:25]2=[O:28])=[CH:20][CH:19]=1.C(=O)([O-])[O-].[K+].[K+].CNCCNC>[Cu]I.C1(C)C=CC=CC=1>[CH3:13][O:12][C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][C:8]=1[O:14][CH3:15])[N:5]=[N:4][CH:3]=[C:2]2[N:24]1[CH2:23][CH2:22][C:21]2[C:26](=[CH:27][C:18]([O:17][CH3:16])=[CH:19][CH:20]=2)[C:25]1=[O:28] | 2 |
ClC=1C=CC(=NC1)NC(=O)C1=C(C(=CC=C1)OC)NC(=O)C1=CC=C(C=C1)C#N>>ClC=1C=CC(=NC1)NC(=O)C1=C(C(=CC=C1)O)NC(=O)C1=CC=C(C=C1)C#N | 5 |
[N:1]([CH:4]1[CH2:10][CH2:9][CH2:8][CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[N:6]([CH2:17][C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[C:5]1=[O:25])=[N+]=[N-]>C(O)C.[Pd]>[NH2:1][CH:4]1[CH2:10][CH2:9][CH2:8][CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[N:6]([CH2:17][C:18]([O:20][C:21]([CH3:23])([CH3:22])[CH3:24])=[O:19])[C:5]1=[O:25] | 1 |
C(C1=CC=CC=C1)=NO.C(C)(C)(C)OC(=O)N1CC(CCC1)=C>>C1(=CC=CC=C1)C1=NOC2(C1)CN(CCC2)C(=O)OC(C)(C)C | 5 |
[CH:1]1([NH:4][C:5](=[O:31])[C:6]2[CH:11]=[C:10]([F:12])[C:9]([CH3:13])=[C:8]([C:14]3[CH:15]=[C:16]4[C:21](=[CH:22][CH:23]=3)[C:20](=[O:24])[N:19]([CH2:25][CH:26]3[CH2:28][CH2:27]3)[CH:18]=[C:17]4[CH:29]=O)[CH:7]=2)[CH2:3][CH2:2]1.[OH:32][CH2:33][C@@H:34]1[CH2:39][NH:38][CH2:37][CH2:36][N:35]1C(OC(C)(C)C)=O>>[CH:1]1([NH:4][C:5](=[O:31])[C:6]2[CH:11]=[C:10]([F:12])[C:9]([CH3:13])=[C:8]([C:14]3[CH:15]=[C:16]4[C:21](=[CH:22][CH:23]=3)[C:20](=[O:24])[N:19]([CH2:25][CH:26]3[CH2:27][CH2:28]3)[CH:18]=[C:17]4[CH2:29][N:38]3[CH2:37][CH2:36][NH:35][C@H:34]([CH2:33][OH:32])[CH2:39]3)[CH:7]=2)[CH2:2][CH2:3]1 | 1 |
CI.C1(CCCC1)N1N=C(C=2C(=NC=CC21)OC)C2=CC=C(C=C2)S(=O)(=O)N>>C1(CCCC1)N1N=C(C=2C(=NC=CC21)OC)C2=CC=C(C=C2)S(=O)(=O)NC | 5 |
C([Li])CCC.C(NC(C)C)(C)C.[Li+].CC([N-]C(C)C)C.[S:21]1[C:25]([C:26]2[CH:27]=[C:28]([NH:32][C:33]3[N:38]=[C:37]([C:39]([F:42])([F:41])[F:40])[CH:36]=[CH:35][N:34]=3)[CH:29]=[CH:30][CH:31]=2)=[CH:24][N:23]=[CH:22]1.[CH3:43][C:44]([CH3:64])([Si:46]([CH3:63])([CH3:62])[O:47][CH2:48][CH2:49][C:50](=[O:61])[CH2:51][CH2:52][O:53][Si:54]([CH3:60])([CH3:59])[C:55]([CH3:58])([CH3:57])[CH3:56])[CH3:45]>C1COCC1>[CH3:45][C:44]([CH3:64])([Si:46]([CH3:63])([CH3:62])[O:47][CH2:48][CH2:49][C:50]([C:22]1[S:21][C:25]([C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([NH:32][C:33]3[N:38]=[C:37]([C:39]([F:42])([F:41])[F:40])[CH:36]=[CH:35][N:34]=3)[CH:27]=2)=[CH:24][N:23]=1)([OH:61])[CH2:51][CH2:52][O:53][Si:54]([CH3:60])([CH3:59])[C:55]([CH3:56])([CH3:57])[CH3:58])[CH3:43] | 2 |
[C:1]1([C:7]2([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:19]([C:21]1[CH:36]=[CH:35][C:24]([O:25][C:26]2[CH:34]=[CH:33][C:29]([C:30]([NH2:32])=[O:31])=[CH:28][N:27]=2)=[CH:23][CH:22]=1)=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(O)(=O)C>ClCCCl.CO.C(Cl)Cl>[C:1]1([C:7]2([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH2:8][CH2:9][N:10]([CH2:19][C:21]3[CH:36]=[CH:35][C:24]([O:25][C:26]4[CH:34]=[CH:33][C:29]([C:30]([NH2:32])=[O:31])=[CH:28][N:27]=4)=[CH:23][CH:22]=3)[CH2:11][CH2:12]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
BrC1=C(C#N)C=CC=C1F.N1N=C(C=C1)B(O)O>O.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>FC=1C(=C(C#N)C=CC1)C=1NC=CC1 | 3 |
Cl[C:2]1[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[C:5]([CH3:12])=[CH:4][CH:3]=1.[OH:13][CH2:14][C:15]1[CH:16]=[C:17](B(O)O)[CH:18]=[CH:19][CH:20]=1.C([O-])([O-])=O.[K+].[K+].C(Cl)Cl>O1CCOCC1.O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[OH:13][CH2:14][C:15]1[CH:20]=[C:19]([C:2]2[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[C:5]([CH3:12])=[CH:4][CH:3]=2)[CH:18]=[CH:17][CH:16]=1 | 2 |
C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)N.ClC1=NC=2N(C=C1)N=CC2C(=O)NC2=C(C=CC=C2)I>CCO[H]>IC1=C(C=CC=C1)NC(=O)C1=CN=C2C1=NC(=CC2)N[C@H]2[C@H](CCCC2)NC(OC(C)(C)C)=O | 3 |
ClC=1C(=CC(=C(C1)S(=O)(=O)N(C=1SC=CN1)CC1=C(C=C(C=C1)OC)OC)F)OC1CCN(CC1)[C@H](C)C1=CC=CC=C1>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.ClC=1C(=CC(=C(C1)S(=O)(=O)NC=1SC=CN1)F)OC1CCN(CC1)[C@H](C)C1=CC=CC=C1 | 3 |
BrC=1C=CC(=C(C1)[N+](=O)[O-])F.C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](CC1)N)O>>C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](CC1)NC1=C(C=C(C=C1)Br)[N+](=O)[O-])O | 5 |
C[C@H]1CN(CCN1)C(=O)OC(C)(C)C.BrC1=C(C=C2C(=NC(=NC2=C1F)Cl)Cl)Cl>CC#N.O.ClCCl.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N1C[C@@H](N(CC1)C1=NC(=NC2=C(C(=C(C=C12)Cl)Br)F)Cl)C | 3 |
[CH2:1]([O:3][CH:4](O)[CH3:5])[CH3:2].C(Cl)Cl.N1C(C)=CC=CC=1C.[F:18][C:19]([F:32])([F:31])[S:20]([O:23]S(C(F)(F)F)(=O)=O)(=[O:22])=[O:21]>O>[O:23]([CH2:2][CH2:1][O:3][CH2:4][CH3:5])[S:20]([C:19]([F:32])([F:31])[F:18])(=[O:22])=[O:21] | 1 |
CC1=NC=C(C=N1)C(=O)OCC>CCO[H].[OH-].[Na+]>CC1=NC=C(C=N1)C(=O)O | 3 |
NC1=NC=C(C=C1C1=C(C=C(C=C1)NC(=O)C=1C(C(=CN(C1)CC1CCOCC1)C1=NC=C(C=C1)C)=O)F)C1=CC(=C(C=C1)OC[C@@H]1OCCOC1)OC>O.CC(=O)C.P(O)(O)(O)=O>O.P(=O)(O)(O)O.NC1=NC=C(C=C1C1=C(C=C(C=C1)NC(=O)C=1C(C(=CN(C1)CC1CCOCC1)C1=NC=C(C=C1)C)=O)F)C1=CC(=C(C=C1)OC[C@@H]1OCCOC1)OC | 3 |
O=[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]2CC3C=CC=CC=3[C:4]=2[NH:3]1.ClS(O)(=O)=O>>[CH:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[CH:4][N:3]=1 | 2 |
Cl[C:2]1[C:3]2[C:4](=[CH:20][N:21](CC3C=CC(OC)=CC=3)[N:22]=2)[N:5]=[C:6]([C:8]2[CH:9]=[C:10]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[CH:11]=[CH:12][CH:13]=2)[N:7]=1.[CH3:32][O:33][C:34]1[CH:35]=[C:36]([CH:38]=[CH:39][C:40]=1[O:41][CH3:42])[NH2:37].Cl>CO.O1CCOCC1>[CH3:32][O:33][C:34]1[CH:35]=[C:36]([NH:37][C:2]2[C:3]3[NH:22][N:21]=[CH:20][C:4]=3[N:5]=[C:6]([C:8]3[CH:13]=[CH:12][CH:11]=[C:10]([N:14]4[CH2:15][CH2:16][O:17][CH2:18][CH2:19]4)[CH:9]=3)[N:7]=2)[CH:38]=[CH:39][C:40]=1[O:41][CH3:42] | 2 |
FC=1C=C(C=2CCCC2C1O[Si](C(C)C)(C(C)C)C(C)C)C=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC=1C=C(C=2CCCC2C1O)C=O | 3 |
CCN=C=NCCCN(C)C.[C:12]([C:15]1[NH:19][C:18]2[S:20][C:21]([Cl:23])=[CH:22][C:17]=2[CH:16]=1)([OH:14])=O.[NH2:24][CH:25]1[CH2:34][C:33]2[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=2)[N:27]([CH2:35][CH2:36][S:37][CH3:38])[C:26]1=[O:39].ON1C2C=CC=CC=2N=N1>C(Cl)Cl>[Cl:23][C:21]1[S:20][C:18]2[NH:19][C:15]([C:12]([NH:24][CH:25]3[CH2:34][C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[N:27]([CH2:35][CH2:36][S:37][CH3:38])[C:26]3=[O:39])=[O:14])=[CH:16][C:17]=2[CH:22]=1 | 1 |
[Br:1][C:2]1[CH:7]=[C:6]([F:8])[C:5]([N+:9]([O-:11])=[O:10])=[CH:4][C:3]=1[OH:12].[C:13](=O)([O-])[O-].[K+].[K+].CI>CC(C)=O>[Br:1][C:2]1[CH:7]=[C:6]([F:8])[C:5]([N+:9]([O-:11])=[O:10])=[CH:4][C:3]=1[O:12][CH3:13] | 2 |
[N:1]1[CH:6]=[CH:5][CH:4]=[N:3][C:2]=1[C:7]1[NH:8][C:9]2[N:10]([CH:15]=1)[CH2:11][CH:12]=[CH:13][CH:14]=2.Br[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.CC([O-])(C)C.[Na+].P(C(C)(C)C)(C(C)(C)C)C(C)(C)C>C1(C)C=CC=CC=1.CC([O-])=O.CC([O-])=O.[Pd+2]>[C:17]1([N:8]2[C:9]3=[CH:14][CH:13]=[CH:12][CH2:11][N:10]3[CH:15]=[C:7]2[C:2]2[N:3]=[CH:4][CH:5]=[CH:6][N:1]=2)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1 | 2 |
FC1=C(CSC2=NC(=CC(=N2)NS(=O)(=O)N2C[C@@H](CC2)NC(OC(C)(C)C)=O)OC)C=CC=C1F>ClCCl.C(=O)(C(F)(F)F)O>N[C@H]1CN(CC1)S(=O)(=O)NC1=NC(=NC(=C1)OC)SCC1=C(C(=CC=C1)F)F | 3 |
C(C)(C)(C)OC(=O)NC1(CCN(CC1)C(=O)C=1C=NN2C1C=C(C=C2)N2[C@H](CCC2)C2=C(C=CC(=C2)F)F)C(=O)OC>>NC1(CCN(CC1)C(=O)C=1C=NN2C1C=C(C=C2)N2[C@H](CCC2)C2=C(C=CC(=C2)F)F)C(=O)OC | 5 |
ClC=1C=C(C=O)C=CC1>S(O)(O)(=O)=O.ClCCl.[N+](=O)(O)[O-]>[N+](=O)([O-])C1=C(C=O)C=C(C=C1)Cl | 3 |
[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][C:4](=O)[CH2:3]1.[CH:9]([NH2:12])([CH3:11])[CH3:10]>>[CH3:10][CH:9]([N:12]=[C:4]1[CH2:5][CH2:6][CH2:7][CH:2]([CH3:1])[CH2:3]1)[CH3:11] | 1 |
[CH3:1][C:2]1[C:3]([C:17]#[N:18])=[C:4]2[N:9]([C:10]=1[C:11]1[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=1)[CH2:8][CH2:7][CH2:6][CH2:5]2>C1(C)C(C)=CC=CC=1.[Se]=O>[CH3:1][C:2]1[C:3]([C:17]#[N:18])=[C:4]2[N:9]([C:10]=1[C:11]1[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=1)[CH:8]=[CH:7][CH:6]=[CH:5]2 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[N:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)=[CH:4][CH:3]=1.Cl[CH2:22][CH2:23][O:24][CH2:25][C:26]([NH2:28])=[O:27].C(=O)([O-])[O-].[Na+].[Na+].[I-].[K+].C>C1(C)C=CC=CC=1.CC1C=CC(C)=CC=1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[N:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][O:24][CH2:25][C:26]([NH2:28])=[O:27])[CH2:13][CH2:14]2)=[CH:6][CH:7]=1 | 1 |
ClC(C(=O)OCC)=O.Cl.Cl.C(C)(C)(C)C1=C(C=CC(=C1)Cl)N1CCNCC1>>C(C)(C)(C)C1=C(C=CC(=C1)Cl)N1CCN(CC1)C(C(=O)OCC)=O | 5 |
CC1(C)CCCC(C)(C)N1.C([Li])CCC.CCCCCC.[Br:22][C:23]1[C:28]([F:29])=[CH:27][CH:26]=[CH:25][C:24]=1[F:30].[Cl-].[NH4+].C1C[O:36][CH2:35]C1>CN(C=O)C>[Br:22][C:23]1[C:28]([F:29])=[C:27]([CH:26]=[CH:25][C:24]=1[F:30])[CH:35]=[O:36] | 1 |
ClC1=CC=C(S1)C=CCO>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>ClC1=CC=C(S1)[C@@H]1[C@@H](CO)O1 | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:10][CH:9]1[CH2:11][CH2:12][C:13]([O:15]C)=[O:14])=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>C(O)C>[C:1]([O:5][C:6]([N:8]1[CH:9]([CH2:11][CH2:12][C:13]([OH:15])=[O:14])[CH2:10]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
OC1=CC=CC2=C1NC(CO2)CNC(C)=O>>FC(S(=O)(=O)OC1=CC=CC2=C1NC(CO2)CNC(C)=O)(F)F | 5 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:11]([NH2:13])=[O:12])=[N:7][NH:8]2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23]>CC#N.O>[C:25]([O:24][C:22](=[O:23])[CH2:21][N:8]1[C:9]2[C:5](=[CH:4][CH:3]=[C:2]([Cl:1])[CH:10]=2)[C:6]([C:11](=[O:12])[NH2:13])=[N:7]1)([CH3:28])([CH3:27])[CH3:26] | 2 |
[CH3:1][C:2]1[NH:6][C:5]2[CH:7]=[CH:8][C:9]([CH3:11])=[CH:10][C:4]=2[N:3]=1.[H][H]>>[CH3:1][C:2]1[NH:6][C:5]2[CH2:7][CH2:8][CH:9]([CH3:11])[CH2:10][C:4]=2[N:3]=1 | 1 |
C[Zn]C.ClC1=CC(=NC2=CC=C(C=C12)C1=CC2=CN(N=C2C=C1)C)OC>CO[H].ClCCl.O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>COC1=NC2=CC=C(C=C2C(=C1)C)C1=CC2=CN(N=C2C=C1)C | 3 |
[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][OH:13])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:14]([CH:16]1[O:18][CH2:17]1)Br.[H-].[Na+]>CN(C)C=O>[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][O:13][CH2:14][CH:16]2[CH2:17][O:18]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[Cl:1][C:2]1[C:3]([O:29][C@H:30]2[CH2:35][C:34]([F:37])([F:36])[CH2:33][CH2:32][C@@H:31]2[C:38]2[N:42]([CH3:43])[N:41]=[CH:40][CH:39]=2)=[CH:4][C:5]([F:28])=[C:6]([S:8]([N:11](CC2C=CC(OC)=CC=2OC)[C:12]2[S:13][CH:14]=[N:15][N:16]=2)(=[O:10])=[O:9])[CH:7]=1.C([SiH](CC)CC)C.FC(F)(F)C(O)=O>ClCCl>[Cl:1][C:2]1[C:3]([O:29][C@H:30]2[CH2:35][C:34]([F:37])([F:36])[CH2:33][CH2:32][C@@H:31]2[C:38]2[N:42]([CH3:43])[N:41]=[CH:40][CH:39]=2)=[CH:4][C:5]([F:28])=[C:6]([S:8]([NH:11][C:12]2[S:13][CH:14]=[N:15][N:16]=2)(=[O:10])=[O:9])[CH:7]=1 | 1 |
C(C)(=O)N1CCCC2=CC(=C(C=C12)[N+](=O)[O-])OC>>C(C)(=O)N1CCCC2=CC(=C(C=C12)N)OC | 5 |
C(CC)N1N=C(C=C1CC1CCOCC1)C#N>BrBr.C(C)(=O)O.S([O-])(O)=O.[Na+].C(C)(=O)[O-].[K+]>BrC=1C(=NN(C1CC1CCOCC1)CCC)C#N | 3 |
[NH2:1][CH:2]([C:11]1[C:16]([O:17][CH3:18])=[CH:15][CH:14]=[CH:13][C:12]=1[O:19][CH3:20])[CH2:3][CH2:4][CH2:5][CH2:6][C:7]([O:9]C)=O.[O:21]([C:28]1[CH:35]=[CH:34][C:31]([CH:32]=O)=[CH:30][CH:29]=1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>>[CH3:20][O:19][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]([O:17][CH3:18])[C:11]=1[CH:2]1[N:1]([CH2:32][C:31]2[CH:34]=[CH:35][C:28]([O:21][C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=3)=[CH:29][CH:30]=2)[C:7](=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3]1 | 1 |
CC1=CC=C(C=C1)S(=O)(=O)OCCCC1=CNC2=CC=C(C=C12)C#N.N1(CCNCC1)C1=CC=C(C=C1)N1C(COCC1)=O>>O=C1COCCN1C1=CC=C(C=C1)N1CCN(CC1)CCCC1=CNC2=CC=C(C=C12)C#N | 5 |
[CH:1]1[C:2]2[C:9](=O)[NH:8][CH:7]=[N:6][C:3]=2[NH:4][N:5]=1.C(N(CC)C(C)C)(C)C.P(Cl)(Cl)([Cl:22])=O>>[Cl:22][C:9]1[N:8]=[CH:7][N:6]=[C:3]2[NH:4][N:5]=[CH:1][C:2]=12 | 2 |
FC=1C=C(C=NC1)B(O)O.FC(S(=O)(=O)OC=1[C@]2(C)[C@@H](CC1)[C@@H]1CCC=3C=C(C=CC3[C@H]1CC2)CCC(=O)OCC)(F)F>>FC=1C=C(C=NC1)C=1[C@]2(C)[C@@H](CC1)[C@@H]1CCC=3C=C(C=CC3[C@H]1CC2)CCC(=O)OCC | 5 |
[C@@H]1(C[C@H](O)[C@H](O1)CO)N1C(=CC(=C1)I)[N+](=O)[O-].C(C#C)NC(CCCCCNC(C(F)(F)F)=O)=O>[Cu]I.N(C)(C)C=O.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>[C@@H]1(C[C@H](O)[C@H](O1)CO)N1C(=CC(=C1)C#CCNC(CCCCCNC(C(F)(F)F)=O)=O)[N+](=O)[O-] | 3 |
C(C)(C)(C)[Si](C)(C)Cl.FC1=C(C=C2C=C(NC2=C1)C(CO)(C)C)[N+](=O)[O-]>c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OCC(C)(C)C=1NC2=CC(=C(C=C2C1)[N+](=O)[O-])F | 3 |
[OH:1][C@@H:2]1[CH2:6][N:5]([C:7]([O:9][CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[O:8])[CH2:4][C@H:3]1[C:17]([O:19]CC)=[O:18].[OH-].[Na+]>C(O)C.O>[CH2:10]([O:9][C:7]([N:5]1[CH2:6][C@@H:2]([OH:1])[C@H:3]([C:17]([OH:19])=[O:18])[CH2:4]1)=[O:8])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 1 |
N=1C=C(N2C1C=CC=C2)C(=O)NC=2C=C(C(=O)O)C=CC2C.NC(CO)CC1=CC=CC=C1>>OCC(CC1=CC=CC=C1)NC(=O)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C | 5 |
BrCCCl.C1(CCC(CC1)C(=O)OC)C(=O)OC>>COC(=O)C12CCC(CC1)(CC2)C(=O)OC | 5 |
ClC1=NC=2N3C(CN(C2C=N1)CC1=C(C#N)C=CC=C1)COCC3>>ClC1=NC=2N3C(CN(C2C=N1)CC1=C(C(=O)N)C=CC=C1)COCC3 | 5 |
CC(C)(C)OC(=O)N(C)CC=1C=CC(=C(C(=O)OC)C1)I>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CS(=O)C.C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2].C(C)(=O)[O-].[K+]>CC(C)(C)OC(=O)N(C)CC1=CC(=C(C(=O)O)C=C1)C(=O)OC | 3 |
C(N(CC)CC)C.[CH3:8][S:9](Cl)(=[O:11])=[O:10].[F:13][C:14]1[CH:15]=[CH:16][C:17]2[N:18]([C:20]([C:23]3[N:28]=[C:27]([NH:29][C@@H:30]4[CH2:35][CH2:34][CH2:33][N:32]([C:36](=[O:40])[CH2:37][C:38]#[N:39])[CH2:31]4)[CH:26]=[C:25]([N:41]4[CH2:46][CH2:45][NH:44][CH2:43][CH2:42]4)[N:24]=3)=[CH:21][N:22]=2)[CH:19]=1>ClCCl>[F:13][C:14]1[CH:15]=[CH:16][C:17]2[N:18]([C:20]([C:23]3[N:28]=[C:27]([NH:29][C@@H:30]4[CH2:35][CH2:34][CH2:33][N:32]([C:36](=[O:40])[CH2:37][C:38]#[N:39])[CH2:31]4)[CH:26]=[C:25]([N:41]4[CH2:42][CH2:43][N:44]([S:9]([CH3:8])(=[O:11])=[O:10])[CH2:45][CH2:46]4)[N:24]=3)=[CH:21][N:22]=2)[CH:19]=1 | 2 |
C([N-]C(C)C)(C)C.[Li+].[CH3:9][O:10][C:11]1[CH:27]=[CH:26][C:14]([CH2:15][NH:16][C:17]2([C:21]3[S:22][CH:23]=[CH:24][N:25]=3)[CH2:20][CH2:19][CH2:18]2)=[CH:13][CH:12]=1.[CH2:28]([Sn:32](Cl)([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:33][CH2:34][CH2:35][CH3:36])[CH2:29][CH2:30][CH3:31]>O1CCCC1>[CH3:9][O:10][C:11]1[CH:12]=[CH:13][C:14]([CH2:15][NH:16][C:17]2([C:21]3[S:22][C:23]([Sn:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:28][CH2:29][CH2:30][CH3:31])=[CH:24][N:25]=3)[CH2:20][CH2:19][CH2:18]2)=[CH:26][CH:27]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:32]=[CH:33][C:34]=1[NH:35][C:36]([C:38]1[C:46]2[N:45]=[C:44]([CH2:47][NH:48][C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50])[NH:43][C:42]=2[CH:41]=[CH:40][CH:39]=1)=[O:37])[C:6]([N:8]([CH3:31])[C:9]1[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][C:10]=1[O:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22]([N:24]1[CH2:29][CH2:28][C:27](=[O:30])[CH2:26][CH2:25]1)=[O:23])=[O:7].[BH4-].[Na+]>CO.C(Cl)(Cl)Cl>[OH:30][CH:27]1[CH2:26][CH2:25][N:24]([C:22]([CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][O:16][C:10]2[CH:11]=[C:12]([CH3:15])[CH:13]=[CH:14][C:9]=2[N:8]([CH3:31])[C:6](=[O:7])[C:5]2[CH:32]=[CH:33][C:34]([NH:35][C:36]([C:38]3[C:46]4[N:45]=[C:44]([CH2:47][NH:48][C:49]([O:51][C:52]([CH3:53])([CH3:54])[CH3:55])=[O:50])[NH:43][C:42]=4[CH:41]=[CH:40][CH:39]=3)=[O:37])=[C:3]([O:2][CH3:1])[CH:4]=2)=[O:23])[CH2:29][CH2:28]1 | 1 |
C(C)OC(CC=1N=C(SC1)N)=O.BrC(C(=O)Cl)CC1CCCCC1>C1CCCO1>C(C)OC(CC=1N=C(SC1)NC(C(CC1CCCCC1)Br)=O)=O | 3 |
FC1=CC=C(C=N1)B(O)O.BrC1=CN=C2N1N=C(C=C2)Cl>>ClC=1C=CC=2N(N1)C(=CN2)C=2C=NC(=CC2)F | 5 |
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([CH:18]=O)=[CH:5][N:6]2[C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12].Cl.Cl.[NH:22]1[C:26]([C:27]([NH2:29])=[O:28])=[CH:25][N:24]=[CH:23]1.C([BH3-])#[N:31].[Na+]>CO>[NH2:29][C:27]([C:26]1[NH:22][CH:23]=[N:24][C:25]=1[NH:31][CH2:18][C:4]1[C:3]2[C:7](=[CH:8][CH:9]=[CH:10][C:2]=2[F:1])[N:6]([C:11]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:12])[CH:5]=1)=[O:28] | 1 |
CI.C(C)[Zn]CC.C(C)OC(=O)C1CCC(CC1)=C>ClCCl.C(=O)(C(F)(F)F)O.CCCCCC>C1CC12CCC(CC2)C(=O)OCC | 3 |
S(N)(=O)(=O)Cl.NC1=C2N=C(N(C2=NC(=N1)F)CCOCCO)CC1=CC2=C(OCO2)C=C1I>N(C)(C)C=O.C(=O)([O-])[O-].[Ca+2]>NC1=C2N=C(N(C2=NC(=N1)F)CCOCCOS(N)(=O)=O)CC1=CC2=C(OCO2)C=C1I | 3 |
C(N(CC)CC)C.[ClH:8].Cl.[NH2:10][CH2:11][CH2:12][C:13]1[CH:45]=[CH:44][C:16]([O:17][C:18]2[CH:19]=[CH:20][C:21]3[N:25]=[C:24]([CH2:26][O:27][C:28]4[CH:41]=[CH:40][C:31]([CH2:32][CH:33]5[S:37][C:36](=[O:38])[NH:35][C:34]5=[O:39])=[CH:30][CH:29]=4)[N:23]([CH3:42])[C:22]=3[CH:43]=2)=[CH:15][CH:14]=1.[C:46]([C:50]1[CH:51]=[C:52]([CH:56]=[C:57]([C:60]([CH3:63])([CH3:62])[CH3:61])[C:58]=1[OH:59])[C:53](O)=[O:54])([CH3:49])([CH3:48])[CH3:47].CCN=C=NCCCN(C)C.Cl>CN(C)C=O>[ClH:8].[C:60]([C:57]1[CH:56]=[C:52]([CH:51]=[C:50]([C:46]([CH3:49])([CH3:48])[CH3:47])[C:58]=1[OH:59])[C:53]([NH:10][CH2:11][CH2:12][C:13]1[CH:14]=[CH:15][C:16]([O:17][C:18]2[CH:19]=[CH:20][C:21]3[N:25]=[C:24]([CH2:26][O:27][C:28]4[CH:41]=[CH:40][C:31]([CH2:32][CH:33]5[S:37][C:36](=[O:38])[NH:35][C:34]5=[O:39])=[CH:30][CH:29]=4)[N:23]([CH3:42])[C:22]=3[CH:43]=2)=[CH:44][CH:45]=1)=[O:54])([CH3:63])([CH3:62])[CH3:61] | 1 |
BrCCCCl.BrC1=CC2=C(CC(NCC2)=O)C=C1OC>CS(=O)C.[H-].[Na+]>BrC1=CC2=C(CC(N(CC2)CCCCl)=O)C=C1OC | 3 |
C(C)S(=O)(=O)C1=CC=C(CC2=NC3=C(N2)C=C(C(=C3Cl)N3CCC(CC3)(F)F)Cl)C=C1>C=O.CS(=O)C.CC[O-].[Na+]>ClC1=C(C(=CC=2NC(=NC21)C(CO)C2=CC=C(C=C2)S(=O)(=O)CC)Cl)N2CCC(CC2)(F)F | 3 |
OCCC1CCNCC1.ClC1=C(C=CC(=C1)F)[N+](=O)[O-]>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>ClC=1C=C(C=CC1[N+](=O)[O-])N1CCC(CC1)CCO | 3 |
COC(C(C)(C1=NC=CC=C1)C)=O>CO[H].[OH-].[Na+]>CC(C(=O)O)(C)C1=NC=CC=C1 | 3 |
[Na].[O:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][CH2:10][OH:11])[CH2:4][CH2:3]1.[Br:12][C:13]1[CH:14]=[C:15]([NH:19][C:20]2[C:29]3[C:24](=[CH:25][C:26](F)=[C:27]([N+:30]([O-:32])=[O:31])[CH:28]=3)[N:23]=[CH:22][N:21]=2)[CH:16]=[CH:17][CH:18]=1>C1COCC1.O>[Br:12][C:13]1[CH:14]=[C:15]([NH:19][C:20]2[C:29]3[C:24](=[CH:25][C:26]([O:11][CH2:10][CH2:9][CH2:8][N:5]4[CH2:6][CH2:7][O:2][CH2:3][CH2:4]4)=[C:27]([N+:30]([O-:32])=[O:31])[CH:28]=3)[N:23]=[CH:22][N:21]=2)[CH:16]=[CH:17][CH:18]=1 | 1 |
N1(CCCC1)CCCCl.OC1=CC=C(C=C1)C1(CCCCC1)C#N>>N1(CCCC1)CCCOC1=CC=C(C=C1)C1(CCCCC1)C#N | 5 |
BrC=1C(=NC=C(N1)Br)N>CC(C)(C)[O-].[K+].CCO[H].O1CCOCC1>BrC=1N=C(C(=NC1)N)OCC1=CC=C(C=C1)OC | 3 |
COC1=CC=C(CO)C=C1.ClC1=NC(=NC=C1C(=S)OCC)C>C1CCCO1.[H-].[Na+]>COC1=CC=C(COC2=NC(=NC=C2C(=S)OCC)C)C=C1 | 3 |
[C:1](=[O:4])([O-])[O-].[K+].[K+].[Cl:7][C:8]1[CH:9]=[C:10]([C@@H:18]([CH2:30][CH:31]2[CH2:35][CH2:34][CH2:33][CH2:32]2)[C:19]([NH:21][C:22]2[CH:27]=[N:26][C:25](C=C)=[CH:24][N:23]=2)=[O:20])[CH:11]=[CH:12][C:13]=1[S:14]([CH3:17])(=[O:16])=[O:15].[C:36](OCC)(=[O:38])C.S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+]>O.C(O)(C)(C)C.[Fe-3](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+].[Os](=O)(=O)(=O)=O.CC[C@H]1[C@H]2C[C@H]([C@H](OC3C4C(=CC=CC=4)C(O[C@H](C4C=CN=C5C=4C=C(OC)C=C5)[C@@H]4N5C[C@H](CC)[C@@H](CC5)C4)=NN=3)C3C=CN=C4C=3C=C(OC)C=C4)N(CC2)C1.C1(C)C=CC=CC=1>[Cl:7][C:8]1[CH:9]=[C:10]([C@@H:18]([CH2:30][CH:31]2[CH2:35][CH2:34][CH2:33][CH2:32]2)[C:19]([NH:21][C:22]2[CH:27]=[N:26][C:25]([C@H:1]([OH:4])[CH2:36][OH:38])=[CH:24][N:23]=2)=[O:20])[CH:11]=[CH:12][C:13]=1[S:14]([CH3:17])(=[O:16])=[O:15] | 1 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)OC(=O)C1=C(CS[C@H]2N1C([C@H]2NC(COC2=CC=CC=C2)=O)=O)OC>ClCCl.C(=O)(C(F)(F)F)O.C1(=CC=CC=C1)OC>O(C1=CC=CC=C1)CC(=O)N[C@H]1[C@@H]2N(C(=C(CS2)OC)C(=O)O)C1=O | 3 |
C(C)=O.NC1=C(C(=O)OC)C=C(C=C1N)N1C=NC=C1>O.CCO[H].[OH-].[Na+].S([O-])(O)=O.[Na+]>N1(C=NC=C1)C1=CC2=C(NC(=N2)C)C(=C1)C(=O)OC | 3 |
NC1=NC=C(C=N1)Br.BrC(C=O)C=O>CC#N>BrC=1C=NC=2N(C1)C(=CN2)C=O | 3 |
C(C1=CC=CC=C1)OC(C(=O)NN)(CC=C)C(F)(F)F.BrC=1C(=NC(=C(C1)C(F)(F)F)OCCCC=C)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)OC(C(=O)NNC(=O)C1=NC(=C(C=C1Br)C(F)(F)F)OCCCC=C)(CC=C)C(F)(F)F | 3 |
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