smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[C:11](=[O:26])[NH:12][C:13]1[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][N:21]=2)[CH:14]=1)[C:5](O)=[O:6].[NH2:27][C:28]1[N:32]=[CH:31][NH:30][N:29]=1>>[Cl:1][C:2]1[CH:3]=[C:4]([C:5]([NH:27][C:28]2[NH:29][N:30]=[CH:31][N:32]=2)=[O:6])[CH:8]=[CH:9][C:10]=1[C:11]([NH:12][C:13]1[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][N:21]=2)[CH:14]=1)=[O:26] | 1 |
COC1=CC=C(CO[C@H]2C(OCC2(C)C)=O)C=C1>>COC1=CC=C(CO[C@H]2C(OCC2(C)C)O)C=C1 | 5 |
[C:1]([C:3]1[CH:38]=[CH:37][C:6]([CH2:7][O:8][C:9]2[CH:32]=[CH:31][C:12]3[C:13]([CH2:16][CH2:17][CH:18]4[CH2:23][CH2:22][N:21](C(OC(C)(C)C)=O)[CH2:20][CH2:19]4)=[N:14][O:15][C:11]=3[C:10]=2[CH2:33][N:34]([CH3:36])[CH3:35])=[CH:5][CH:4]=1)#[N:2].Cl>CO>[CH3:35][N:34]([CH2:33][C:10]1[C:11]2[O:15][N:14]=[C:13]([CH2:16][CH2:17][CH:18]3[CH2:23][CH2:22][NH:21][CH2:20][CH2:19]3)[C:12]=2[CH:31]=[CH:32][C:9]=1[O:8][CH2:7][C:6]1[CH:5]=[CH:4][C:3]([C:1]#[N:2])=[CH:38][CH:37]=1)[CH3:36] | 2 |
BrCC1=C(C#N)C=C(C=C1)F.ClC=1C(N(C(=CC1O)C)C1=C(C=CC=C1F)F)=O>C([O-])([O-])=O.[K+].[K+].CN(C(C)=O)C.OC(=O)CC(O)(CC(O)=O)C(O)=O.C1COCCOCCOCCOCCOCCO1>ClC=1C(N(C(=CC1OCC1=C(C#N)C=C(C=C1)F)C)C1=C(C=CC=C1F)F)=O | 3 |
[N:1]([CH2:4][C:5]1[CH:17]=[C:16]2[C:8]([C:9]3[C:10]([Br:21])=[CH:11][CH:12]=[C:13]([C:18]([NH2:20])=[O:19])[C:14]=3[NH:15]2)=[CH:7][CH:6]=1)=[N+]=[N-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O>C1COCC1>[NH2:1][CH2:4][C:5]1[CH:17]=[C:16]2[C:8]([C:9]3[C:10]([Br:21])=[CH:11][CH:12]=[C:13]([C:18]([NH2:20])=[O:19])[C:14]=3[NH:15]2)=[CH:7][CH:6]=1 | 1 |
Cl[C:2]1[CH:12]=[C:6]2[N:7]([CH3:11])[CH2:8][CH2:9][CH2:10][N:5]2[C:4](=[O:13])[N:3]=1.BrC[C:16]1[CH:21]=[CH:20][C:19]([F:22])=[C:18]([F:23])[CH:17]=1.[F:24][C:25]1[CH:26]=[C:27]([CH2:32][OH:33])[CH:28]=[CH:29][C:30]=1[F:31]>>[F:22][C:19]1[CH:20]=[C:21]([CH:16]=[CH:17][C:18]=1[F:23])[CH2:11][N:7]1[CH2:8][CH2:9][CH2:10][N:5]2[C:4](=[O:13])[N:3]=[C:2]([O:33][CH2:32][C:27]3[CH:28]=[CH:29][C:30]([F:31])=[C:25]([F:24])[CH:26]=3)[CH:12]=[C:6]12 | 1 |
C(#N)CCC1CN(CCO1)C(=O)OC(C)(C)C>C1CCCO1.CO[H]>NCCCC1CN(CCO1)C(=O)OC(C)(C)C | 3 |
[N-]=[N+]=C.O=C1CC=CC(C1)C(=O)O>C(C)OCC>O=C1CC=CC(C1)C(=O)OC | 3 |
C1COC2C=CC(NC3C(F)=CN=C(NC4C=CC=C(O)C=4)N=3)=CC=2O1.[CH3:27][C:28]1[CH:29]=[C:30]([CH:32]=[C:33]([CH3:37])[C:34]=1[O:35][CH3:36])[NH2:31].[Cl:38][C:39]1[N:44]=[C:43](Cl)[C:42]([F:46])=[CH:41][N:40]=1>>[Cl:38][C:39]1[N:44]=[C:43]([NH:31][C:30]2[CH:32]=[C:33]([CH3:37])[C:34]([O:35][CH3:36])=[C:28]([CH3:27])[CH:29]=2)[C:42]([F:46])=[CH:41][N:40]=1 | 1 |
ClC1=CC=C(N)C=C1.ClC=1C=CC(=C(C1)S(=O)(=O)N1CCC2=CC=C(C=C12)C(=O)O)OC>CC(=O)C.CN1CCOCC1.N1=C(Cl)N=C(Cl)N=C1Cl>ClC1=CC=C(C=C1)NC(=O)C1=CC=C2CCN(C2=C1)S(=O)(=O)C1=C(C=CC(=C1)Cl)OC | 3 |
[N+](=O)([O-])C1=C(C=CC=C1)F.C=1C=CC(=C(C1)C(=O)CCN)N>>NC1=C(C(=O)C(CN)C2=C(C=CC=C2)[N+](=O)[O-])C=CC=C1 | 5 |
NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C2=CC(=CC=C2)C#N)N1C1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1>Cl.O1CCOCC1>NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C=2C=C(C#N)C=CC2)N1C1=CC=C(C=C1)CN1CCNCC1 | 3 |
CS(=O)(=O)Cl.Cl.Cl.ClC=1C=C(C=CC1)N1CCN(CC1)CC[C@@H]1OC(C2(C1)CCN(CC2)C(CN)=O)=O>>ClC=1C=C(C=CC1)N1CCN(CC1)CC[C@@H]1OC(C2(C1)CCN(CC2)C(CNS(=O)(=O)C)=O)=O | 5 |
[Li+].C[Si]([N-][Si](C)(C)C)(C)C.[Cl:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[NH2:18].[Br:19][C:20]1[C:21]([F:31])=[C:22]([F:30])[C:23](F)=[C:24]([CH:28]=1)[C:25]([OH:27])=[O:26]>C1COCC1>[Br:19][C:20]1[C:21]([F:31])=[C:22]([F:30])[C:23]([NH:18][C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[Cl:11])=[C:24]([CH:28]=1)[C:25]([OH:27])=[O:26] | 1 |
OCCC1=C(C=C(C=C1OC)C)NC(C(C)(C)C)=O>[OH-].[Na+].Br>CC=1C=C2C(CCO2)=C(C1)N | 3 |
O[C@@H]1C[C@H](N(C1)C([C@H](C(C)(C)C)NC(COCCCC1CN(C1)C(=O)OC(C)(C)C)=O)=O)C(NCC1=CC=C(C=C1)C1=C(N=CS1)C)=O>Cl.[HH].C(C)(C)O>N1CC(C1)CCCOCC(=O)N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C)C(C)(C)C | 3 |
[Si](C)(C)(C(C)(C)C)OC[C@H]1NCCCC1.C(C)OC(CC1=C(C(=O)O)C=CC=C1)=O>N(C)(C)C=O.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>[Si](C)(C)(C(C)(C)C)OC[C@H]1N(CCCC1)C(=O)C1=C(C=CC=C1)CC(=O)OCC | 3 |
[N+:1]([O-:4])(O)=[O:2].[CH:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1>O>[N+:1]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)([O-:4])=[O:2] | 1 |
[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@H:13]([C:18]([OH:20])=O)[CH2:14][CH:15]([CH3:17])[CH3:16])=[O:11].[C:21]([O:25][C:26](=[O:33])[NH:27][CH2:28][CH2:29][CH2:30][CH2:31][NH2:32])([CH3:24])([CH3:23])[CH3:22].CCN=C=NCCCN(C)C.Cl.CN1CCOCC1>C(Cl)Cl.C1C=C2C(N(O)N=NC2=CC=1)=O>[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@H:13]([C:18]([NH:32][CH2:31][CH2:30][CH2:29][CH2:28][NH:27][C:26](=[O:33])[O:25][C:21]([CH3:23])([CH3:22])[CH3:24])=[O:20])[CH2:14][CH:15]([CH3:16])[CH3:17])=[O:11] | 2 |
[C:1]1([CH2:7][CH2:8][CH2:9][CH:10]([NH:20][C:21](=[O:31])[CH2:22][C:23]([N:25]2[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]2)=[O:24])[CH2:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[O:32]1[CH2:34][C@@H:33]1[CH2:35][O:36][C:37]1[CH:46]=[CH:45][CH:44]=[C:43]2[C:38]=1[CH:39]=[CH:40][CH:41]=[N:42]2>C(O)C>[C:1]1([CH2:7][CH2:8][CH2:9][CH:10]([NH:20][C:21](=[O:31])[CH2:22][C:23]([N:25]2[CH2:30][CH2:29][N:28]([CH2:34][C@@H:33]([OH:32])[CH2:35][O:36][C:37]3[CH:46]=[CH:45][CH:44]=[C:43]4[C:38]=3[CH:39]=[CH:40][CH:41]=[N:42]4)[CH2:27][CH2:26]2)=[O:24])[CH2:11][CH2:12][CH2:13][C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
O1N=C(C=C1)C1(CC1)C#N>CCO[H].C(C)(=O)Cl>Cl.O1N=C(C=C1)C1(CC1)C(OCC)=N | 3 |
[Si](O[C@H]([C@H]1CC(O)(C2C=CC=CC=2)CN1C(OC(C)(C)C)=O)[C@@H](NC(=O)C1C=CC=C(C(=O)N)C=1)CC1C=C(F)C=C(F)C=1)(C(C)(C)C)(C)C.FC1C=C(C[C@H](NC(=O)C2C=C(C3OC=CN=3)C=C(C(N(CCC)CCC)=O)C=2)[C@H](O)[C@H]2C[C@@H](OCCC)CN2)C=C(F)C=1.[Si]([O:102][C@H:103]([C@H:138]1[CH2:142][C@@H:141]([O:143][CH2:144][CH2:145][CH3:146])[CH2:140][N:139]1C(OC(C)(C)C)=O)[C@@H:104]([NH:114][C:115](=[O:137])[C:116]1[CH:121]=[C:120]([C:122]2[O:123][CH:124]=[CH:125][N:126]=2)[CH:119]=[C:118]([C:127]([N:129]2[CH2:133][CH2:132][CH2:131][C@@H:130]2[CH2:134][O:135][CH3:136])=[O:128])[CH:117]=1)[CH2:105][C:106]1[CH:111]=[C:110]([F:112])[CH:109]=[C:108]([F:113])[CH:107]=1)(C(C)(C)C)(C)C>Cl.O>[F:112][C:110]1[CH:111]=[C:106]([CH2:105][C@H:104]([NH:114][C:115](=[O:137])[C:116]2[CH:121]=[C:120]([C:122]3[O:123][CH:124]=[CH:125][N:126]=3)[CH:119]=[C:118]([C:127]([N:129]3[CH2:133][CH2:132][CH2:131][C@@H:130]3[CH2:134][O:135][CH3:136])=[O:128])[CH:117]=2)[C@H:103]([OH:102])[C@H:138]2[CH2:142][C@@H:141]([O:143][CH2:144][CH2:145][CH3:146])[CH2:140][NH:139]2)[CH:107]=[C:108]([F:113])[CH:109]=1 | 1 |
[NH2:1][C:2]1[N:7]=[C:6](S(C)=O)[C:5]([C:11]#[N:12])=[C:4]([N:13]2[CH:17]=[CH:16][CH:15]=[N:14]2)[N:3]=1.Cl.[N:19]1[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[CH:22]=[CH:21][C:20]=1[CH2:29][NH2:30].C1CCN2C(=NCCC2)CC1>COCCOC>[NH2:1][C:2]1[N:3]=[C:4]([N:13]2[CH:17]=[CH:16][CH:15]=[N:14]2)[C:5]([C:11]#[N:12])=[C:6]([NH:30][CH2:29][C:20]2[CH:21]=[CH:22][C:23]3[C:28](=[CH:27][CH:26]=[CH:25][CH:24]=3)[N:19]=2)[N:7]=1 | 1 |
CN1C(=CC(=C1)NC(=O)C=1N(C=C(C1)[N+](=O)[O-])C)C(=O)OC>O.CN(C(C)=O)C.[OH-].[Li+]>CN1C(=CC(=C1)NC(=O)C=1N(C=C(C1)[N+](=O)[O-])C)C(=O)O | 3 |
[C:1]1([CH3:13])[CH:6]=[CH:5][C:4]([C@H:7]2[CH2:11][CH2:10][CH2:9][C@H:8]2[NH2:12])=[CH:3][CH:2]=1.C1CCN2C(=NCCC2)CC1.[CH:25]([S:28](Cl)(=[O:30])=[O:29])([CH3:27])[CH3:26]>C(Cl)Cl>[C:1]1([CH3:13])[CH:2]=[CH:3][C:4]([C@H:7]2[CH2:11][CH2:10][CH2:9][C@H:8]2[NH:12][S:28]([CH:25]([CH3:27])[CH3:26])(=[O:30])=[O:29])=[CH:5][CH:6]=1 | 1 |
CC1=NC(=CC(=N1)N1CCC(CC1)N(C(OCC1=CC=CC=C1)=O)CC)C>>CC1=NC(=CC(=N1)N1CCC(CC1)NCC)C | 5 |
O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)O)=O)=O.BrCCCCC1OCCO1>N(C)(C)C=O.[I-].[K+].C(O)([O-])=O.[Na+].C>O1C(OCC1)CCCCOC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O | 3 |
[C-]#N.[Na+].FC(CCC=O)(F)F>>FC(CCC1C(NC(N1)=O)=O)(F)F | 5 |
[Br:1][C:2]1[N:3]=[N:4][C:5](Br)=[CH:6][CH:7]=1.[OH:9][CH:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1>C(O)(C)C>[Br:1][C:2]1[N:3]=[N:4][C:5]([N:13]2[CH2:14][CH2:15][CH:10]([OH:9])[CH2:11][CH2:12]2)=[CH:6][CH:7]=1 | 2 |
C(C)OC(=O)C1=C(NC=C1C)CC(NCCNC(C)=O)=O>>C(C)OC(=O)C1=C(NC=C1C)CCNCCNCC | 5 |
[S:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4](=[O:11])[CH2:3][CH2:2]1.C(O[CH:15](OCC)[N:16]([CH3:18])[CH3:17])C>>[CH3:15][N:16]([CH:18]=[C:3]1[CH2:2][S:1][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]1=[O:11])[CH3:17] | 1 |
N1=CC=C(C=C1)C.BrC1=CC(=C(C(=O)N(C)OC)C=C1)F.[Li].CC1=CC=NC=C1>>BrC1=CC(=C(C=C1)C(CC1=CC=NC=C1)=O)F | 5 |
[CH2:1]([C:3]1[C:8]([CH2:9][CH3:10])=[CH:7][CH:6]=[CH:5][C:4]=1[N:11]1[CH2:16][CH2:15][N:14]([CH2:17][C:18]2[CH:23]=[CH:22][C:21]([NH2:24])=[CH:20][CH:19]=2)[CH2:13][CH2:12]1)[CH3:2].Cl[C:26]1[C:35]2[C:30](=[CH:31][C:32]([C:36]([F:39])([F:38])[F:37])=[CH:33][CH:34]=2)[N:29]=[CH:28][CH:27]=1>>[CH2:1]([C:3]1[C:8]([CH2:9][CH3:10])=[CH:7][CH:6]=[CH:5][C:4]=1[N:11]1[CH2:16][CH2:15][N:14]([CH2:17][C:18]2[CH:19]=[CH:20][C:21]([NH:24][C:26]3[C:35]4[C:30](=[CH:31][C:32]([C:36]([F:39])([F:37])[F:38])=[CH:33][CH:34]=4)[N:29]=[CH:28][CH:27]=3)=[CH:22][CH:23]=2)[CH2:13][CH2:12]1)[CH3:2] | 1 |
C(C)OC(=O)C=1C=NC(=NC1)Cl.FC(OC[C@H]1NC[C@H](C1)OC1=CC=C(C=C1)C(F)(F)F)(F)F>C([O-])([O-])=O.[K+].[K+].CC(=O)C>FC(OC[C@H]1N(C[C@H](C1)OC1=CC=C(C=C1)C(F)(F)F)C1=NC=C(C=N1)C(=O)OCC)(F)F | 3 |
ClC1=CC=C(CBr)C=C1.CC1=CN=C(N1COCC[Si](C)(C)C)C1=NC=CC(=C1)C=1C=NNC1.CC=1N=C(N(C1)COCC[Si](C)(C)C)C1=NC=CC(=C1)C=1C=NNC1>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(CN2N=CC(=C2)C2=CC(=NC=C2)C=2NC(=CN2)C)C=C1 | 3 |
C(C(O)C(O)C(=O)O)(=O)O.C(C)C=1C=C2CC(CC2=CC1CC)NC[C@H](O)C1=C2C=CC(NC2=C(C=C1)O)=O>C(C)(C)O>C(=O)(O)C(O)C(O)C(=O)O.C(C)C=1C=C2CC(CC2=CC1CC)NC[C@H](O)C1=C2C=CC(NC2=C(C=C1)O)=O | 3 |
[F:1][C:2]([F:27])([F:26])[C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:25])[CH2:11][C:12]([NH:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=2)=[O:13])[CH:6]=[CH:7][CH:8]=1.[Cl:28][C:29]1[N:36]=[CH:35][CH:34]=[CH:33][C:30]=1[CH:31]=O>>[F:1][C:2]([F:26])([F:27])[C:3]1[CH:4]=[C:5]([NH:9][C:10](=[O:25])[C:11](=[CH:31][C:30]2[C:29]([Cl:28])=[N:36][CH:35]=[CH:34][CH:33]=2)[C:12]([NH:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([F:24])([F:23])[F:22])[CH:16]=2)=[O:13])[CH:6]=[CH:7][CH:8]=1 | 2 |
[OH:1][C:2]1[CH:10]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[C:15](=O)([O-])[O-].[K+].[K+].Br[CH:22]([CH3:24])[CH3:23].CCO[C:28]([CH3:30])=O>CN(C=O)C>[CH:22]([O:5][C:4](=[O:6])[C:3]1[CH:7]=[CH:8][C:9]([C:11]([F:12])([F:13])[F:14])=[CH:10][C:2]=1[O:1][CH:28]([CH3:30])[CH3:15])([CH3:24])[CH3:23] | 1 |
FC1=C(N)C(=CC=C1)F>>BrC1=CC(=C(N)C(=C1)F)F | 5 |
C(C)(C)(C)OC(NCC1=C(C(=CC=C1F)OC)C(F)F)=O>Cl.C(C)(C)O>Cl.FC(C1=C(CN)C(=CC=C1OC)F)F | 3 |
COC(CC1CC(C1)=O)=O.FC=1C=C2C=C(NC2=C(C1)F)C1=CC=C(C=C1)F>>FC=1C=C2C(=C(NC2=C(C1)F)C1=CC=C(C=C1)F)C1CC(C1)CC(=O)OC | 5 |
[O:1]1CCO[CH:2]1[C:6]1[N:11]=[C:10]([N:12]2[CH2:17][CH2:16][N:15]([CH:18]([CH3:20])[CH3:19])[CH2:14][CH2:13]2)[CH:9]=[CH:8][CH:7]=1.C(O)=O>O>[CH:18]([N:15]1[CH2:14][CH2:13][N:12]([C:10]2[N:11]=[C:6]([CH:2]=[O:1])[CH:7]=[CH:8][CH:9]=2)[CH2:17][CH2:16]1)([CH3:20])[CH3:19] | 1 |
ClC1=NC=CC(=N1)Cl>O.CO[H].C[O-].[Na+]>ClC1=NC=CC(=N1)OC | 3 |
C(C)(=O)OCCCC1=CC(=NC=C1)C#N>>OCCCC1=CC(=NC=C1)C#N | 5 |
ClC1=CC=C2C(=C(N(C2=C1C=1C(=NN(C1C)C)C)CCC1CN(C1)C(COC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)C(=O)OC(C)(C)C)CCCOC1=CC=CC2=CC(=CC=C12)F>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC=C2C(=C(N(C2=C1C=1C(=NN(C1C)C)C)CCC1CN(C1)C(COC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O)C(=O)O)CCCOC1=CC=CC2=CC(=CC=C12)F | 3 |
C(O[C:4]([C:6]1[N:7]=[C:8]([CH:12]([CH3:14])C)S[C:10]=1N)=O)C.C(O[C:18]([C:20]1[N:21]=[C:22]([CH:32]([CH3:34])[CH3:33])[S:23][C:24]=1[NH:25][C:26]1[CH:27]=[N:28][CH:29]=[CH:30][CH:31]=1)=[O:19])C.C(C1SC(NC2C=NC=CC=2)=C(C(O)=O)[N:42]=1)(C)C>>[CH3:10][C:6]1[N:7]=[C:8]([NH:42][C:18]([C:20]2[N:21]=[C:22]([CH:32]([CH3:33])[CH3:34])[S:23][C:24]=2[NH:25][C:26]2[CH:27]=[N:28][CH:29]=[CH:30][CH:31]=2)=[O:19])[CH:12]=[CH:14][CH:4]=1 | 1 |
C(O[CH2:5][C:6]1[C:15]2[C:10](=[CH:11][C:12]([O:16][C:17]3[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=3)=[CH:13][CH:14]=2)[C:9]([OH:25])=[C:8]([C:26]([O:28][CH3:29])=[O:27])[N:7]=1)(=O)C.C([O-])([O-])=O.[Na+].[Na+]>[Pd].C(OCC)(=O)C>[OH:25][C:9]1[C:10]2[C:15](=[CH:14][CH:13]=[C:12]([O:16][C:17]3[CH:18]=[CH:19][C:20]([O:23][CH3:24])=[CH:21][CH:22]=3)[CH:11]=2)[C:6]([CH3:5])=[N:7][C:8]=1[C:26]([O:28][CH3:29])=[O:27] | 1 |
COC(C1=CC(=C(C=C1)CCC(=O)O)C)=O.C(C)(C)(C)OC(N(CC1CCNCC1)C1CC1)=O>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl.C(C)(C)N(C(C)C)CC>COC(C1=CC(=C(C=C1)CCC(=O)N1CCC(CC1)CN(C1CC1)C(=O)OC(C)(C)C)C)=O | 3 |
C(C)(=O)N[C@@H](C(C(=O)OCC)(C(=O)OCC)CC(C)C)P(=O)O>O.Cl.O[Li].O>C(C)(=O)N[C@@H](C(C(=O)OCC)(C(=O)O)CC(C)C)P(=O)O | 3 |
C1C(N2C(=O)COCC2)=CC=C(N2C(=O)O[C@@H](CNC(C3SC(Cl)=CC=3)=O)C2)C=1.[NH2:30][C:31]1[CH:36]=[CH:35][C:34]([N:37]2[CH2:42][CH2:41][O:40][CH2:39][C:38]2=[O:43])=[CH:33][CH:32]=1.[O:44]1[CH2:46][C@@H:45]1[CH2:47][N:48]1[C:56](=[O:57])[C:55]2[C:50](=[CH:51][CH:52]=[CH:53][CH:54]=2)[C:49]1=[O:58]>>[OH:44][C@H:45]([CH2:46][NH:30][C:31]1[CH:32]=[CH:33][C:34]([N:37]2[CH2:42][CH2:41][O:40][CH2:39][C:38]2=[O:43])=[CH:35][CH:36]=1)[CH2:47][N:48]1[C:49](=[O:58])[C:50]2[C:55](=[CH:54][CH:53]=[CH:52][CH:51]=2)[C:56]1=[O:57] | 1 |
C(C1=CC=CC=C1)N1C(C2=CC=CC(=C2C=C1)N1CCNCC1)=O>>C(C1=CC=CC=C1)N1C(C2=CC=CC(=C2CC1)N1CCNCC1)=O | 5 |
[CH2:1]([C@@H:8]1[CH2:13][N:12]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:11][CH2:10][N:9]1[C:21]([C:23]1[N:24]=[CH:25][N:26]([CH2:34][CH2:35][N:36]([CH:44]2[CH2:49][CH2:48][O:47][CH2:46][CH2:45]2)C(=O)OC(C)(C)C)[C:27]=1[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)=[O:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(O)(C(F)(F)F)=O.C(=O)(O)[O-].[Na+].C(=O)([O-])[O-].[K+].[K+]>ClCCl>[CH2:1]([C@@H:8]1[CH2:13][N:12]([CH2:14][C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH2:11][CH2:10][N:9]1[C:21]([C:23]1[N:24]=[CH:25][N:26]([CH2:34][CH2:35][NH:36][CH:44]2[CH2:45][CH2:46][O:47][CH2:48][CH2:49]2)[C:27]=1[C:28]1[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=1)=[O:22])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>C[C@@H]1CC[C@H](C(=O)C1)C(C)C | 3 |
COC1=CC=C(C=C1)CC(C)NCC.O=C1N(CCCCC1)CC=O>>C(C)N(CCN1C(CCCCC1)=O)C(CC1=CC=C(C=C1)OC)C | 5 |
[OH:1][C:2]1[C:9]([CH3:10])=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=O.[C:11]([NH:15][OH:16])([CH3:14])([CH3:13])[CH3:12]>>[OH:1][C:2]1[C:9]([CH3:10])=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=[N+:15]([C:11]([CH3:14])([CH3:13])[CH3:12])[O-:16] | 1 |
C(C1=CC=CC=C1)OC=1C=C(C#N)C=C(C1OCC1=CC=CC=C1)[N+](=O)[O-]>>C(C1=CC=CC=C1)OC=1C=C(C=C(C1OCC1=CC=CC=C1)[N+](=O)[O-])C=1N=NNN1 | 5 |
ClC1=C(C=CC=C1Cl)S(=O)(=O)N(C)CCN1C(N(CC1)CCC1=CC=C(C=C1)C#N)=O>>Cl.ClC1=C(C=CC=C1Cl)S(=O)(=O)N(C)CCN1C(N(CC1)CCC1=CC=C(C=C1)C=1NCCN1)=O | 5 |
[C:1]([O:5][C:6](=[O:20])[C:7]([CH3:19])([O:9][C:10]1[CH:18]=[CH:17][C:13]([C:14]([OH:16])=[O:15])=[CH:12][CH:11]=1)[CH3:8])([CH3:4])([CH3:3])[CH3:2].[F:21][C:22]([F:38])([F:37])[C:23]1[CH:36]=[CH:35][C:26]([CH2:27][N:28]2[CH:32]=[C:31]([CH2:33]O)[N:30]=[N:29]2)=[CH:25][CH:24]=1.C1(N=C=NC2CCCCC2)CCCCC1>CN(C)C1C=CN=CC=1.ClCCl>[C:1]([O:5][C:6](=[O:20])[C:7]([CH3:8])([O:9][C:10]1[CH:11]=[CH:12][C:13]([C:14]([O:16][CH2:33][C:31]2[N:30]=[N:29][N:28]([CH2:27][C:26]3[CH:35]=[CH:36][C:23]([C:22]([F:37])([F:21])[F:38])=[CH:24][CH:25]=3)[CH:32]=2)=[O:15])=[CH:17][CH:18]=1)[CH3:19])([CH3:2])([CH3:3])[CH3:4] | 2 |
I[C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:17]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24]C4CCCCO4)[CH:19]=3)=[C:16]([CH3:31])[C:15]3[C:10](=[CH:11][CH:12]=[C:13]([O:32]C4CCCCO4)[CH:14]=3)[O:9]2)=[CH:4][CH:3]=1.[CH2:39]([NH:41][CH2:42][CH2:43][OH:44])[CH3:40].[F:45][CH2:46][CH2:47]I>>[CH2:39]([N:41]([CH2:47][CH2:46][F:45])[CH2:42][CH2:43][O:44][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[C:17]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([OH:24])[CH:19]=3)=[C:16]([CH3:31])[C:15]3[C:10](=[CH:11][CH:12]=[C:13]([OH:32])[CH:14]=3)[O:9]2)=[CH:6][CH:7]=1)[CH3:40] | 1 |
C(#N)C(C(=O)N)C1OC(C(=C1Cl)Cl)=O.Cl.NCC1=C(C=CC(=C1)Cl)S(=O)(=O)N>CCO[H].C([O-])([O-])=O.[K+].[K+]>Cl.ClC=1C=C(C(N(C1)CC1=C(C=CC(=C1)Cl)S(N)(=O)=O)=N)C(=O)N | 3 |
C1(CC1)C1=C(C=NN1C=1C=C(C=CC1)C1=CC(=CC=C1)O)C(=O)OCC>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CCCCC1)C(C)OC=1C=C(C=CC1)C1=CC(=CC=C1)N1N=CC(=C1C1CC1)C(=O)OCC | 3 |
FC1=C(C=CC(=C1)F)N1C=2C3CCC(C2C(=N1)C(=O)OCC)C3>>FC1=C(C=CC(=C1)F)N1N=C(C=2C3CCC(C12)C3)CO | 5 |
C(C)(C)(C)OC(=O)N([C@@H](C)C(=O)O)C.N[C@H](C(=O)N1[C@@H]([C@@H](CC1)N=[N+]=[N-])C(=O)N[C@H](C(=O)OC)CC1=CC2=CC=CC=C2C=C1)C(C)(C)C>ClCCl.CN1CCOCC1.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>N(=[N+]=[N-])[C@H]1[C@H](N(CC1)C([C@H](C(C)(C)C)NC([C@H](C)N(C)C(=O)OC(C)(C)C)=O)=O)C(=O)N[C@H](C(=O)OC)CC1=CC2=CC=CC=C2C=C1 | 3 |
ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)CNC2CCS(CC2)(=O)=O)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O>Cl.O1CCOCC1>ClC1=C(C=CC=C1C1=CC=2N(C(C(=CN2)CNC2CCS(CC2)(=O)=O)=O)C=C1)C1=C(C(=CC=C1)C1=NC(=C(C=C1)CNC[C@H]1NC(CC1)=O)OC)Cl | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:11]([C:16]([NH:18][C:19]3[CH:51]=[CH:50][C:22]([C:23]([N:25]([CH3:49])[C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=4[O:32][CH2:33][C:34]4[CH:39]=[CH:38][C:37]([C:40]([N:42]5[CH2:47][CH2:46][N:45]([CH3:48])[CH2:44][CH2:43]5)=[O:41])=[CH:36][N:35]=4)=[O:24])=[CH:21][CH:20]=3)=[O:17])=[CH:12][CH:13]=[CH:14][CH:15]=2)=[CH:6][CH:5]=1)([O-])=O>C(O)C.C(O)(=O)C.[Fe]>[NH2:1][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[C:11]([C:16]([NH:18][C:19]3[CH:20]=[CH:21][C:22]([C:23]([N:25]([CH3:49])[C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=4[O:32][CH2:33][C:34]4[CH:39]=[CH:38][C:37]([C:40]([N:42]5[CH2:47][CH2:46][N:45]([CH3:48])[CH2:44][CH2:43]5)=[O:41])=[CH:36][N:35]=4)=[O:24])=[CH:50][CH:51]=3)=[O:17])=[CH:12][CH:13]=[CH:14][CH:15]=2)=[CH:6][CH:5]=1 | 1 |
Br[C:2]1[C:7](=[O:8])[N:6]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]3[C:17]([C:22]#[N:23])=[CH:18][CH:19]=[CH:20][CH:21]=3)=[CH:12][CH:11]=2)[C:5]([CH2:24][CH2:25][CH3:26])=[N:4][C:3]=1[CH2:27][CH3:28].[CH2:29]([O:32][C:33]1[CH:38]=[CH:37][C:36](B(O)O)=[CH:35][CH:34]=1)[CH2:30][CH3:31].C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.C(OCC)(=O)C.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]>[CH2:27]([C:3]1[N:4]=[C:5]([CH2:24][CH2:25][CH3:26])[N:6]([CH2:9][C:10]2[CH:11]=[CH:12][C:13]([C:16]3[C:17]([C:22]#[N:23])=[CH:18][CH:19]=[CH:20][CH:21]=3)=[CH:14][CH:15]=2)[C:7](=[O:8])[C:2]=1[C:36]1[CH:37]=[CH:38][C:33]([O:32][CH2:29][CH2:30][CH3:31])=[CH:34][CH:35]=1)[CH3:28] | 1 |
BrCC1=CC(=C2CN(CC2=C1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)C#N>C1CCCO1.C[S-].[Na+]>C(#N)C1=CC=C(C=C1)C1=C2CN(CC2=CC(=C1)CSC)C(=O)OC(C)(C)C | 3 |
BrCN1C(C=2C(C1=O)=CC=CC2)=O.N1C(C2CC(NC=3C=CC=C1C23)=O)=O>N(C)(C)C=O.[H-].[Na+]>O=C1N(C(C2=CC=CC=C12)=O)CC12CC(NC=3C=CC=C(C13)NC2=O)=O | 3 |
CI.CC1=C(C(=CC(=C1)C)C)S(=O)(=O)N[C@H](CCC1=CC=CC=C1)C>N(C)(C)C=O.ClCCl.C([O-])([O-])=O.[K+].[K+]>CN(S(=O)(=O)C1=C(C=C(C=C1C)C)C)[C@H](CCC1=CC=CC=C1)C | 3 |
OC1=CC(=NC=C1)C(F)(F)F>O.S(O)(O)(=O)=O.[N+](=O)(O)[O-]>ClC1=C(C(=O)O)C=C(C=C1[N+](=O)[O-])C(F)(F)F | 3 |
BrC1=CC=C(CCN)C=C1.OC=1C=C2C=C(C(=NC2=CC1OC)C1=CSC=C1)C=O>>BrC1=CC=C(CCNCC=2C(=NC3=CC(=C(C=C3C2)O)OC)C2=CSC=C2)C=C1 | 5 |
[CH3:1][C:2]1[S:17][C:5]2[C:6](=[O:16])[N:7]([CH2:10][C:11]([O:13]CC)=[O:12])[N:8]=[CH:9][C:4]=2[C:3]=1[CH3:18].[OH-].[Na+]>CO>[CH3:1][C:2]1[S:17][C:5]2[C:6](=[O:16])[N:7]([CH2:10][C:11]([OH:13])=[O:12])[N:8]=[CH:9][C:4]=2[C:3]=1[CH3:18] | 2 |
ClC1N=CN=C2C=1N=CN2[C@H]1[C@H]2[O:16]C(C)(C)O[C@@H]2[C@@H](CO)C1.C(NS(=O)=O)(OC(C)(C)C)=O.[C:34]1([P:40]([C:47]2[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=2)[C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>CCOC(C)=O>[C:47]1([P:40](=[O:16])([C:34]2[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=2)[C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)[CH:48]=[CH:49][CH:50]=[CH:51][CH:52]=1 | 2 |
FC1=C(C=CC=C1)C1=C(C(=NC=C1)C1CN(C1)C(=O)OC(C)(C)C)NC(=O)C=1C=NC(=NC1)C(C)C>Cl.O1CCOCC1>Cl.N1CC(C1)C1=NC=CC(=C1NC(=O)C=1C=NC(=NC1)C(C)C)C1=C(C=CC=C1)F | 3 |
[N+](=O)([O-])[O-].[Ce+4].[NH4+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].C(C)(=O)N(CC(C)(C)C1=NOC(=C1)NC(C(C)(S(=O)(=O)C1CCOCC1)C)=O)CC1=CC=C(C=C1)OC>>C(C)(=O)NCC(C)(C)C1=NOC(=C1)NC(C(C)(S(=O)(=O)C1CCOCC1)C)=O | 5 |
OC1CCC(CC1)OS(=O)(=O)C1=CC=C(C=C1)C.BrC1=NNC2=NC(=NC=C21)NCCCC>O.CN(C1=CC=CC=C1)C.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC1=NN(C2=NC(=NC=C21)NCCCC)C2CCC(CC2)O | 3 |
ClC=1C=C(C=C(C1)Cl)C(=C)C(F)(F)F.BrC1=C(C=C(C=NO)C=C1)C>>BrC1=C(C=C(C=C1)C1=NOC(C1)(C(F)(F)F)C1=CC(=CC(=C1)Cl)Cl)C | 5 |
C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(C(=O)N(CCCCCC)CC=2C=CC(=C(C(=O)OC)C2)F)C=C1>O.C1CCCO1.O[Li].O>C(CCC)C1=CC=C(C=C1)C#CC1=CC=C(C(=O)N(CCCCCC)CC=2C=CC(=C(C(=O)O)C2)F)C=C1 | 3 |
FC=1C(=C(C=CC1F)C(=O)N1CC(C1)NC(OC(C)(C)C)=O)NC1=C(C=C(C=C1)I)F>ClCCl.C(=O)(C(F)(F)F)O>FC=1C(=C(C=CC1F)C(=O)N1CC(C1)N)NC1=C(C=C(C=C1)I)F | 3 |
[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:6]=[C:7]([O:11][CH3:12])[CH:8]=[CH:9][CH:10]=1.C([Li])CCC.[B:18](OC)([O:21]C)[O:19]C.[NH4+].[Cl-].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C1COCC1.C(OCC)(=O)C>[CH3:12][O:11][C:7]1[CH:8]=[CH:9][CH:10]=[C:5]([O:4][CH2:3][O:2][CH3:1])[C:6]=1[B:18]([OH:21])[OH:19] | 1 |
[ClH:1].C(OC([N:9]1[CH2:13][C@H:12]([O:14][CH2:15][CH2:16][C:17]([OH:20])([CH3:19])[CH3:18])[CH2:11][C@@H:10]1[C@H:21]1[O:25]C(C)(C)[N:23]([C:28](=[O:30])[CH3:29])[C@H:22]1[CH2:31][C:32]1[CH:37]=[C:36]([F:38])[CH:35]=[C:34]([F:39])[CH:33]=1)=O)(C)(C)C>O1CCOCC1>[ClH:1].[F:38][C:36]1[CH:37]=[C:32]([CH:33]=[C:34]([F:39])[CH:35]=1)[CH2:31][C@H:22]([NH:23][C:28](=[O:30])[CH3:29])[C@H:21]([OH:25])[C@H:10]1[CH2:11][C@@H:12]([O:14][CH2:15][CH2:16][C:17]([OH:20])([CH3:19])[CH3:18])[CH2:13][NH:9]1 | 1 |
[CH:1]1[CH:10]=[C:9]2[C:11]([O:13][C:14](=[O:15])[C:7]3=[C:8]2[C:3](=[CH:4][C:5]([N+:16]([O-:18])=[O:17])=[CH:6]3)[CH:2]=1)=O.[CH3:19][N:20]([CH3:24])[CH2:21][CH2:22][NH2:23]>C1(C)C(CCO)=CC=CC=1>[CH3:19][N:20]([CH2:21][CH2:22][N:23]1[C:14](=[O:15])[C:7]2=[CH:6][C:5]([N+:16]([O-:18])=[O:17])=[CH:4][C:3]3[C:8]2=[C:9]([CH:10]=[CH:1][CH:2]=3)[C:11]1=[O:13])[CH3:24] | 2 |
ClC(=O)OCC1=CC=CC=C1.C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)OC>>C(C1=CC=CC=C1)OC([C@H](CC1=CC=C(C=C1)OC)NC(=O)OC(C)(C)C)=O | 5 |
NC=1C=C(C=CC1)C1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)(C)F>C1CCCO1.CCN(CC)CC.C(C)(=O)Cl>FC(CNS(=O)(=O)C(C)C)(C)C1=CC=C(C=C1)C=1C=C(C=CC1)NC(C)=O | 3 |
CC(C)(C)S.NC=1C=C(C(=O)O)C=CC1C>>C(C)(C)(C)SN=NC=1C=C(C(=O)O)C=CC1C | 5 |
Cl[CH2:2][CH2:3][C:4]([C:6]1[S:7][CH:8]=[CH:9][CH:10]=1)=[O:5].C(N(CC)CC)C>C(OCC)C>[S:7]1[CH:8]=[CH:9][CH:10]=[C:6]1[C:4](=[O:5])[CH:3]=[CH2:2] | 1 |
N1C(=NC=C1)CN(CC=1NC=CN1)CC1=CC=C(C(=O)NC2=CC=C(C=C2)CN(CCC)CCC)C=C1>>C1(=CC=C(C=C1)S(=O)(=O)N1C(=NC=C1)CN(CC=1N(C=CN1)S(=O)(=O)C1=CC=C(C=C1)C)CC1=CC=C(C(=O)NC2=CC=C(C=C2)CN(CCC)CCC)C=C1)C | 5 |
FC1=C2CN(C(C2=CC(=C1C1(CCN(CC1)CCN(C(OC(C)(C)C)=O)C)O)F)=O)C1C(NC(CC1)=O)=O>ClCCl.Cl>FC1=C2CN(C(C2=CC(=C1C1(CCN(CC1)CCNC)O)F)=O)C1C(NC(CC1)=O)=O | 3 |
Cl.Cl.Cl.N1CC(C1)N1CCC(CC1)S(=O)(=O)N(C=1C=C(C=CC1)C)CC1=NC=C(C=C1)C=1OC(=NN1)C(F)F>C(C)OCC.ClCCl.CC(=O)C.CCCCCC.C(C)(C)N(C(C)C)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>FC(C1=NN=C(O1)C=1C=CC(=NC1)CN(S(=O)(=O)C1CCN(CC1)C1CN(C1)C(C)C)C=1C=C(C=CC1)C)F | 3 |
Br[C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([CH3:12])=[N:7]2.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(NCC)C.[CH3:37][Si:38]([C:41]#[CH:42])([CH3:40])[CH3:39]>[Cu](I)I.CN(C=O)C>[CH3:12][C:6]1[CH:5]=[CH:4][C:3]2[C:8](=[CH:9][CH:10]=[CH:11][C:2]=2[C:42]#[C:41][Si:38]([CH3:40])([CH3:39])[CH3:37])[N:7]=1 | 1 |
C(C)(C)(C)OC(=O)N1CC(C1)O.ClC1=C(C=CC(=C1)C(F)(F)F)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>ClC1=C(OC2CN(C2)C(=O)OC(C)(C)C)C=CC(=C1)C(F)(F)F | 3 |
[OH:1][CH:2]1[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][CH2:10][C:11]([C:13]2[CH:18]=[CH:17][C:16]([C:19]([CH3:26])([CH3:25])[C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:15][CH:14]=2)=[O:12])[CH2:4][CH2:3]1.[C:27](=[O:30])([O-:29])[O-].[Na+].[Na+].[C:33]1([CH:39](Br)[C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1>C(C(C)=O)C(C)C>[C:20]([OH:22])(=[O:21])/[CH:19]=[CH:16]/[C:27]([OH:29])=[O:30].[C:33]1([CH:39]([C:40]2[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=2)[O:1][CH:2]2[CH2:7][CH2:6][N:5]([CH2:8][CH2:9][CH2:10][C:11]([C:13]3[CH:14]=[CH:15][C:16]([C:19]([CH3:25])([CH3:26])[C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:17][CH:18]=3)=[O:12])[CH2:4][CH2:3]2)[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1 | 1 |
[N:1]([C@@H:4]1[CH2:13][CH2:12]C[C:10]2[CH:9]=[C:8]([CH2:14][N:15]3[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]3)[CH:7]=[CH:6][C:5]1=2)=[N+:2]=[N-:3].N([C@H]1C2C(=CC(C=O)=CC=2)[O:27]CC1)=[N+]=[N-]>>[N:1]([C@H:4]1[C:5]2[C:10](=[CH:9][C:8]([CH2:14][N:15]3[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]3)=[CH:7][CH:6]=2)[O:27][CH2:12][CH2:13]1)=[N+:2]=[N-:3] | 1 |
[C:1]([O:4][C:5]1[C:6](=[CH:10][CH:11]=[CH:12][CH:13]=1)[C:7](Cl)=[O:8])(=[O:3])[CH3:2].[CH3:14][S:15][C:16]1[S:20][C:19]([NH2:21])=[N:18][CH:17]=1.C(N(CC)CC)C>C1COCC1>[C:1]([O:4][C:5]1[CH:13]=[CH:12][CH:11]=[CH:10][C:6]=1[C:7](=[O:8])[NH:21][C:19]1[S:20][C:16]([S:15][CH3:14])=[CH:17][N:18]=1)(=[O:3])[CH3:2] | 1 |
COC(C1=CC=C(C=C1)C1=NC2=C(N(C=3C1=CC=1C(CCC(C1C3)(C)C)(C)C)C)C=CC(=C2)B2OC(C(O2)(C)C)(C)C)=O>>C(C)(=O)C1=CC2=C(N(C=3C(=CC=4C(CCC(C4C3)(C)C)(C)C)C(=N2)C2=CC=C(C(=O)O)C=C2)C)C=C1 | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([F:10])[C:5]([CH2:8]O)=[N:6][CH:7]=1.S(Cl)([Cl:13])=O>ClCCl>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([F:10])[C:5]([CH2:8][Cl:13])=[N:6][CH:7]=1 | 2 |
ICCC.C(CCC)[Sn](C1=CN=C(S1)NC(OC(C)(C)C)=O)(CCCC)CCCC>>C(CC)N(C(OC(C)(C)C)=O)C=1SC(=CN1)[Sn](CCCC)(CCCC)CCCC | 5 |
C(C1=CC=CC=C1)SC=1C=CC(=C(C1)/C=C/C(=O)OCC)NC1=C(C=CC(=C1)Br)OC>CO[H].C[O-].[Na+]>C(C1=CC=CC=C1)SC=1C=C2C=CC(N(C2=CC1)C1=C(C=CC(=C1)Br)OC)=O | 3 |
[CH2:1]([O:3][C:4](=[O:39])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26](Br)[CH:25]=[C:24]([C:29](=[O:31])[CH3:30])[CH:23]=2)[C:10]=1[CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[CH3:2].[C:40]1(B(O)O)[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>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]>[CH2:1]([O:3][C:4](=[O:39])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26]([C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)[CH:25]=[C:24]([C:29](=[O:31])[CH3:30])[CH:23]=2)[C:10]=1[CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[CH3:2] | 1 |
[N+](=O)([O-])C=1C=C(C(N)=CC1)S(=O)(=O)O>>NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N | 5 |
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