smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
N1CCNCC1.CC(C(=O)C1=CC=C(C=C1)F)(C)N1CCOCC1>[Cu]I.C1(=CC=CC=C1)C.ClCCl>CC(C(=O)C1=CC=C(C=C1)N1CCNCC1)(C)N1CCOCC1 | 3 |
BrCCOC(C)=O.OC=1C=CC2=NC3=C(N(C(C4=CC=CC=C34)=O)C3=CC=C(C=C3)[N+](=O)[O-])N2C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C1=CC=C(C=C1)N1C(C2=CC=CC=C2C2=C1N1C(=N2)C=CC(=C1)OCCOC(C)=O)=O | 3 |
[CH3:1][N:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][CH:5]=[C:4]([C:12]([OH:14])=[O:13])[C:3]1=[O:15].[C:16](Cl)(=O)C(Cl)=O.CO.C(N(CC)CC)C>ClCCl.CN(C=O)C>[CH3:16][O:13][C:12]([C:4]1[C:3](=[O:15])[N:2]([CH3:1])[C:7]([C:8]([F:9])([F:10])[F:11])=[CH:6][CH:5]=1)=[O:14] | 1 |
FC1=C(C(=O)O)C=CC(=C1)[N+](=O)[O-]>ClCCl.ClS(Cl)=O>FC1=C(C(=O)Cl)C=CC(=C1)[N+](=O)[O-] | 3 |
N1(CCOCC1)C(=O)Cl.OC1=C(C=C2C(=CC=NC2=C1)OC1=C(C=C(C=C1)OC)C(C)=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>N1(CCOCC1)C(=O)OC1=C(C=C2C(=CC=NC2=C1)OC1=C(C=C(C=C1)OC)C(C)=O)OC | 3 |
[CH3:1][N:2]1[CH:6]=[CH:5][N:4]=[CH:3]1.[Br:7][CH2:8][CH2:9][CH2:10][C:11]1[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=1>>[Br-:7].[CH3:18][O:17][C:14]1[CH:15]=[CH:16][C:11]([CH2:10][CH2:9][CH2:8][N+:4]2[CH:5]=[CH:6][N:2]([CH3:1])[CH:3]=2)=[CH:12][CH:13]=1 | 1 |
[N:1]1([C:6]2[CH:32]=[CH:31][C:9]([O:10][CH2:11][C:12]3[CH:17]=[CH:16][C:15]([CH:18]4[CH2:23][CH2:22][N:21]([C:24](OC(C)(C)C)=O)[CH2:20][CH2:19]4)=[CH:14][N:13]=3)=[CH:8][CH:7]=2)[CH:5]=[N:4][N:3]=[N:2]1.[CH2:33]([C:36]1[CH:37]=[N:38]C(Br)=[N:40][CH:41]=1)[CH2:34][CH3:35]>>[CH2:33]([C:36]1[CH:37]=[N:38][C:24]([N:21]2[CH2:22][CH2:23][CH:18]([C:15]3[CH:16]=[CH:17][C:12]([CH2:11][O:10][C:9]4[CH:31]=[CH:32][C:6]([N:1]5[CH:5]=[N:4][N:3]=[N:2]5)=[CH:7][CH:8]=4)=[N:13][CH:14]=3)[CH2:19][CH2:20]2)=[N:40][CH:41]=1)[CH2:34][CH3:35] | 1 |
[Cl:1][C:2]1[S:6][C:5]([C:7]2S[CH2:11][CH2:10][O:9][N:8]=2)=[CH:4][CH:3]=1.[S:13]([O-:17])([O-])(=O)=[O:14].[Mg+2].ClC1C=C(C=CC=1)C(OO)=O>C=Cl.C(Cl)Cl>[Cl:1][C:2]1[S:6][C:5]([C:7]2[S:13](=[O:17])(=[O:14])[CH2:11][CH2:10][O:9][N:8]=2)=[CH:4][CH:3]=1 | 1 |
[OH:1][CH2:2][C@@H:3]1[CH2:7][C:6](=C)[CH2:5][C@H:4]1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.C[OH:16]>>[OH:1][CH2:2][C@@H:3]1[CH2:7][C:6](=[O:16])[CH2:5][C@H:4]1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1 | 1 |
[CH3:1][C:2]([O:5][C:6]([N:8]([CH2:10][C:11]1[CH:20]=[CH:19][C:14]([C:15]([O:17][CH3:18])=[O:16])=[C:13]([C:21]#[CH:22])[CH:12]=1)[CH3:9])=[O:7])([CH3:4])[CH3:3]>[Pd].CCO>[CH3:4][C:2]([O:5][C:6]([N:8]([CH2:10][C:11]1[CH:20]=[CH:19][C:14]([C:15]([O:17][CH3:18])=[O:16])=[C:13]([CH2:21][CH3:22])[CH:12]=1)[CH3:9])=[O:7])([CH3:1])[CH3:3] | 2 |
C(=S)(Cl)Cl.NC1=C(C(=O)OC)C(=CC(=C1)C(=O)OC)Cl>C(Cl)(Cl)(Cl)[H].C(O)([O-])=O.[Na+]>ClC1=C(C(=CC(=C1)C(=O)OC)N=C=S)C(=O)OC | 3 |
C(C=C)B1OC(C(O1)(C)C)(C)C.BrC1=C(C=C(C(=C1)OC)C)OC>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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=C)C1=C(C=C(C(=C1)OC)C)OC | 3 |
FC(CN)(F)F.ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)C=O)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O>O.C1CCCO1.CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=CC=2N(C(C(=CN2)CNCC(F)(F)F)=O)C=C1)Cl)C1=CC=C(C(=N1)OC)CN(C(OC(C)(C)C)=O)C[C@H]1NC(CC1)=O | 3 |
BrC1=C(C=C(C(=O)OCC)C=C1)OCC(F)(F)F.[B-](C1CC1)(F)(F)F.[K+]>C1(=CC=CC=C1)C.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)OCC.C(O)([O-])=O.[Na+].C(=O)([O-])[O-].[Cs+].[Cs+].C12(CC3CC(CC(C1)C3)C2)P(CCCC)C23CC1CC(CC(C2)C1)C3>C1(CC1)C1=C(C=C(C(=O)OCC)C=C1)OCC(F)(F)F | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1.C([O-])(=O)C.[Na+].[Br:14]Br.[OH-].[Na+]>C(O)(=O)C>[Br:14][C:6]1[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[N:4][CH:5]=1 | 2 |
CC(C(=O)Cl)C.NC=1NC(C=2N=CN(C2N1)[C@H]1[C@@H]([C@@H]2O[Si](OC[C@H]2S1)(C(C)(C)C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=O>ClCCl.c1ccncc1>C(C)(C)(C)[Si]1(OC[C@@H]2[C@H](O1)[C@H]([C@@H](S2)N2C=1N=C(NC(C1N=C2)=O)NC(C(C)C)=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]([CH:10]=O)=O.[NH2:12][C:13]1[N:17]([NH2:18])[CH:16]=[N:15][N:14]=1.C([O-])(=O)C.[Na+]>C(O)(=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:10]=[N:18][N:17]2[CH:16]=[N:15][N:14]=[C:13]2[N:12]=1 | 1 |
FC(F)(F)C(O)=O.[C:8]([NH:16][C:17]1[CH:29]=[C:28]([C:30]2[CH:35]=[CH:34][C:33]([N:36]([CH3:38])[CH3:37])=[CH:32][CH:31]=2)[CH:27]=[CH:26][C:18]=1[C:19]([O:21]C(C)(C)C)=[O:20])(=[O:15])[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>>[C:8]([NH:16][C:17]1[CH:29]=[C:28]([C:30]2[CH:31]=[CH:32][C:33]([N:36]([CH3:38])[CH3:37])=[CH:34][CH:35]=2)[CH:27]=[CH:26][C:18]=1[C:19]([OH:21])=[O:20])(=[O:15])[C:9]1[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=1 | 1 |
C(C)(C)(C)OC(NC1CCN(CC1)C1=CC(=CC=C1)C1=NC2=C(N1C)C=CC=C2)=O>>Cl.CN1C(=NC2=C1C=CC=C2)C=2C=C(C=CC2)N2CCC(CC2)N | 5 |
[CH3:1][C:2]([CH3:22])([O:4][C:5](=[O:21])[CH2:6][S:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][CH:15]([CH3:20])[C:16]([O:18]C)=[O:17])=[CH:10][CH:9]=1)[CH3:3].[C-]#N.[Na+]>CN(C)P(N(C)C)(N(C)C)=O.[Cl-].[NH4+]>[CH3:22][C:2]([CH3:3])([O:4][C:5](=[O:21])[CH2:6][S:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][CH:15]([CH3:20])[C:16]([OH:18])=[O:17])=[CH:10][CH:9]=1)[CH3:1] | 1 |
ClC=1C2=C(N=NC1)N(C=N2)CC.C(C)S(=O)(=O)C1=CC(=C(C=C1)C=1C(=CC=C(C1)B1OC(C(O1)(C)C)(C)C)O)OC>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)N1C=NC2=C1N=NC=C2C2=CC=C(C(=C2)C2=C(C=C(C=C2)S(=O)(=O)CC)OC)O | 3 |
C1C(=O)N([Br:8])C(=O)C1.[F:9][C:10]1[N:15]=[C:14]([CH3:16])[CH:13]=[CH:12][CH:11]=1.CC(N=NC(C#N)(C)C)(C#N)C.CCCCCC>CCOC(C)=O>[Br:8][CH2:16][C:14]1[CH:13]=[CH:12][CH:11]=[C:10]([F:9])[N:15]=1 | 1 |
Cl[C:2]1[N:12]=[CH:11][CH:10]=[CH:9][C:3]=1[C:4]([O:6][CH2:7][CH3:8])=[O:5].[NH:13]1[CH2:19][CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1>C(O)C>[N:13]1([C:2]2[N:12]=[CH:11][CH:10]=[CH:9][C:3]=2[C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH2:19][CH2:18][CH2:17][NH:16][CH2:15][CH2:14]1 | 1 |
[CH2:1]([O:4][C:5]1[CH:15]=[CH:14][CH:13]=[CH:12][C:6]=1[O:7][CH2:8][CH:9]1[O:11][CH2:10]1)[CH:2]=[CH2:3].[NH2:16][CH2:17][CH2:18][C:19]1[NH:20][C:21]2[CH:27]=[C:26]([C:28]3[CH2:29][CH2:30][C:31](=[O:34])[NH:32][N:33]=3)[CH:25]=[CH:24][C:22]=2[N:23]=1>>[CH2:1]([O:4][C:5]1[CH:15]=[CH:14][CH:13]=[CH:12][C:6]=1[O:7][CH2:8][CH:9]([OH:11])[CH2:10][NH:16][CH2:17][CH2:18][C:19]1[NH:20][C:21]2[CH:27]=[C:26]([C:28]3[CH2:29][CH2:30][C:31](=[O:34])[NH:32][N:33]=3)[CH:25]=[CH:24][C:22]=2[N:23]=1)[CH:2]=[CH2:3] | 1 |
C#CCCCC.BrC=1SC=C(N1)CON1C(C2=CC=CC=C2C1=O)=O>>C(#CCCCC)C=1SC=C(N1)CON1C(C2=CC=CC=C2C1=O)=O | 5 |
[CH2:1]([O:8][C:9]1[CH:19]=[C:18]2[C:12]([C:13]([C:23]3[CH:28]=[C:27]([O:29][CH3:30])[C:26]([O:31][CH3:32])=[C:25]([O:33][CH3:34])[CH:24]=3)=[C:14]([C:20]([OH:22])=[O:21])[O:15][C:16]2=O)=[CH:11][C:10]=1[O:35][CH3:36])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:37][N:38]1[CH2:43][CH2:42][O:41][CH2:40][CH2:39]1.C(Cl)(Cl)Cl.O>CN1CCN(C)C1=O>[CH2:1]([O:8][C:9]1[CH:19]=[C:18]2[C:12]([C:13]([C:23]3[CH:24]=[C:25]([O:33][CH3:34])[C:26]([O:31][CH3:32])=[C:27]([O:29][CH3:30])[CH:28]=3)=[C:14]([C:20]([OH:22])=[O:21])[N:37]([N:38]3[CH2:43][CH2:42][O:41][CH2:40][CH2:39]3)[C:16]2=[O:15])=[CH:11][C:10]=1[O:35][CH3:36])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([OH:9])=O.Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.[CH2:32]([C:34]1[C:39](=[O:40])[N:38]2[N:41]=[CH:42][C:43]([C:44]([NH:46][NH2:47])=[O:45])=[C:37]2[NH:36][C:35]=1[CH3:48])[CH3:33]>CN(C=O)C>[CH2:32]([C:34]1[C:39](=[O:40])[N:38]2[N:41]=[CH:42][C:43]([C:44]([NH:46][NH:47][C:7](=[O:9])[C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=3)=[O:45])=[C:37]2[NH:36][C:35]=1[CH3:48])[CH3:33] | 2 |
[C:1]([CH:3]1[CH2:8][CH2:7][CH:6]([CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14])[CH2:5][CH2:4]1)#[N:2].[CH:18]([N-]C(C)C)(C)C.[Li+].CI>O1CCCC1>[C:1]([C:3]1([CH3:18])[CH2:4][CH2:5][CH:6]([CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:14])([CH3:16])[CH3:15])[CH2:7][CH2:8]1)#[N:2] | 1 |
[C:1]([C:5]1[N:6]=[C:7]2[C:12]([C:13](OCC)=[O:14])=[CH:11][CH:10]=[CH:9][N:8]2[CH:18]=1)([CH3:4])([CH3:3])[CH3:2]>C(Cl)(Cl)(Cl)Cl>[C:1]([C:5]1[N:6]=[C:7]2[C:12]([CH2:13][OH:14])=[CH:11][CH:10]=[CH:9][N:8]2[CH:18]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
C(C1=CC=CC=C1)OC=1C=2N(C=C(C1)COC)C(=C(N2)C)C>CO[H].[HH].[HH].[Pd]>COCC1CC(C=2N(C1)C(=C(N2)C)C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]([OH:11])=[O:10])=[CH:4][CH:3]=1.Br[CH2:13][CH3:14].N12CCCN=C1CCCCC2>C(#N)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][C:9]([O:11][CH2:13][CH3:14])=[O:10])=[CH:6][CH:7]=1 | 1 |
BrC=1SC2=C(N1)C=C(C(=C2OS(=O)(=O)C(F)(F)F)[C@@H](C(=O)OCC)OC(C)(C)C)C.ClC=1SC2=C(N1)C=C(C(=C2OS(=O)(=O)C(F)(F)F)[C@@H](C(=O)OCC)O)C>>C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=C(N=C(S2)Cl)C=C1C)OS(=O)(=O)C(F)(F)F | 5 |
C(C)(=O)OC(C)=O.NC1=C(C(=NC(=C1F)Cl)C(=O)OC)Cl>>C(C)(=O)NC1=C(C(=NC(=C1F)Cl)C(=O)OC)Cl | 5 |
[CH:1]1([C:4]([N:6]2[CH2:10][CH2:9][C@@H:8]([CH2:11][NH:12][C:13](=[O:18])[CH2:14][C:15](=O)[CH3:16])[CH2:7]2)=[O:5])[CH2:3][CH2:2]1.[Br:19][C:20]1[CH:28]=[CH:27][C:23]([C:24]([NH2:26])=O)=[CH:22][CH:21]=1>CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-].C1(C)C=CC=CC=1>[Br:19][C:20]1[CH:28]=[CH:27][C:23]([C:24]2[N:12]([CH2:11][C@@H:8]3[CH2:9][CH2:10][N:6]([C:4]([CH:1]4[CH2:3][CH2:2]4)=[O:5])[CH2:7]3)[C:13](=[O:18])[CH:14]=[C:15]([CH3:16])[N:26]=2)=[CH:22][CH:21]=1 | 2 |
[CH:1]1([CH:7]([OH:32])[CH:8]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[F:31])[CH2:9][CH2:10][N:11]2[CH2:16][CH2:15][N:14]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[O:23][CH3:24])[CH2:13][CH2:12]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[O-:33][C:34]#[N:35].[K+].FC(F)(F)C(O)=O>C(Cl)Cl>[NH2:35][C:34]([O:32][CH:7]([CH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)[CH:8]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[F:31])[CH2:9][CH2:10][N:11]1[CH2:16][CH2:15][N:14]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=2[O:23][CH3:24])[CH2:13][CH2:12]1)=[O:33] | 2 |
[CH3:1][NH:2][C:3]([C:5]1[C:6]([C:11]2[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:19])[F:18])=[CH:13][CH:12]=2)=[CH:7][CH:8]=[CH:9][CH:10]=1)=O.[BH4-].[Na+].II.CO>C1COCC1>[CH3:1][NH:2][CH2:3][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[C:11]1[CH:16]=[CH:15][C:14]([C:17]([F:18])([F:19])[F:20])=[CH:13][CH:12]=1 | 1 |
C1C2C(COC([C@@H:18]([CH2:39][C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)[C:19]([NH:21][C:22]3[N:26]([CH2:27][C:28]([O:30][CH2:31][CH3:32])=[O:29])[N:25]=[C:24]([C:33]4[CH:38]=[CH:37][N:36]=[CH:35][CH:34]=4)[CH:23]=3)=[O:20])=O)C3C(=CC=CC=3)C=2C=CC=1.CCCC[N+:50](CCCC)(CCCC)CCCC.[F-].O>C(Cl)Cl>[NH2:50][C@@H:18]([CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)[C:19]([NH:21][C:22]1[N:26]([CH2:27][C:28]([O:30][CH2:31][CH3:32])=[O:29])[N:25]=[C:24]([C:33]2[CH:38]=[CH:37][N:36]=[CH:35][CH:34]=2)[CH:23]=1)=[O:20] | 1 |
FC1=C(C(=CC=C1)F)OC1=CC=C(C=C1)I>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>FC1=C(OC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C(=CC=C1)F | 3 |
C(C)(C)(C)OC(=O)N1[C@H](CCC1)CC(=O)NC(C)(C)C1=NC=CC2=CC=CC=C12>Cl.O1CCOCC1>C1(=NC=CC2=CC=CC=C12)C(C)(C)NC(C[C@@H]1NCCC1)=O | 3 |
CCC(CC)N1N=CC(=C1)C=1C=2N(C=C(N1)C=1C=NNC1)N=CC2.BrCC(CN1C(C2=CC=CC=C2C1=O)=O)OC>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC(CN1C(C2=CC=CC=C2C1=O)=O)CN1N=CC(=C1)C=1N=C(C=2N(C1)N=CC2)C=2C=NN(C2)C(CC)CC | 3 |
CC1=NOC(=C1B1OC(C(O1)(C)C)(C)C)C.BrC1=NC2=C(N1C(C)C)C(N(C2=O)C2=CN(C(C(=C2)C)=O)C)C2=CC=C(C=C2)Cl>>ClC1=CC=C(C=C1)C1N(C(C2=C1N(C(=N2)C=2C(=NOC2C)C)C(C)C)=O)C2=CN(C(C(=C2)C)=O)C | 5 |
FC1=C(N)C=C(C=C1)[N+](=O)[O-]>O.c1ccncc1.CS(=O)(=O)Cl>FC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C | 3 |
C(C)(=O)NN.ClC1=C(C=C(C=C1)OC1=CC=C(C=C1)CCOC=1NC=C(C(N1)=O)CC(=O)O)C(F)(F)F>>C(C)(=O)NNC(CC=1C(N=C(NC1)OCCC1=CC=C(C=C1)OC1=CC(=C(C=C1)Cl)C(F)(F)F)=O)=O | 5 |
[NH2:1][C:2]1[N:6]([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([O:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)=[CH:10][CH:9]=2)[N:5]=[C:4]([CH3:21])[C:3]=1[C:22](O)([CH2:28][C:29]([O:31]CC)=O)[C:23]([O:25][CH2:26][CH3:27])=[O:24]>CC(O)=O>[OH:31][C:29]1[CH:28]=[C:22]([C:23]([O:25][CH2:26][CH3:27])=[O:24])[C:3]2[C:4]([CH3:21])=[N:5][N:6]([CH2:7][C:8]3[CH:9]=[CH:10][C:11]([O:14][C:15]4[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=4)=[CH:12][CH:13]=3)[C:2]=2[N:1]=1 | 1 |
BrC1=NC=CC=C1.ClC=1C=C(C=CC1)C=1N=C2N(CCNC2)C1>>ClC=1C=C(C=CC1)C=1N=C2N(CCN(C2)C2=NC=CC=C2)C1 | 5 |
N#N.C(OC(=O)[N:9]([C:22]([C:24]1[N:25]=[CH:26][S:27][C:28]=1[C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=1)=[O:23])[C:10]1[N:11]=[C:12]([CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:21])[CH3:20])[O:13][CH:14]=1)(C)(C)C.FC(F)(F)C(O)=O>C(Cl)Cl>[O:21]=[C:19]([CH3:20])[CH2:18][CH2:17][CH2:16][CH2:15][C:12]1[O:13][CH:14]=[C:10]([NH:9][C:22]([C:24]2[N:25]=[CH:26][S:27][C:28]=2[C:29]2[CH:34]=[CH:33][CH:32]=[C:31]([F:35])[CH:30]=2)=[O:23])[N:11]=1 | 1 |
[C:1]([NH:7][C@H:8]([C:13]([OH:15])=[O:14])[CH2:9][C:10]([OH:12])=O)(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4].CC(C)=O.C(OC(=O)C)(=O)C.C([O-])(=O)C.[Mg+2].C([O-])(=O)C>C(O)(=O)C>[C:1]([NH:7][C@@H:8]1[C:13](=[O:14])[O:15][C:10](=[O:12])[CH2:9]1)(=[O:6])[CH2:2][C:3]([CH3:5])=[O:4] | 1 |
Cl[C:2]1[C:3]2[N:10]([CH3:11])[CH:9]=[CH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[OH:12][C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][CH:22]=1)[C:19]([C:23]([OH:25])=[O:24])=[CH:18][CH:17]=[CH:16]2.C(=O)([O-])[O-].[Cs+].[Cs+]>CS(C)=O>[CH3:11][N:10]1[C:3]2[C:2]([O:12][C:13]3[CH:14]=[C:15]4[C:20](=[CH:21][CH:22]=3)[C:19]([C:23]([OH:25])=[O:24])=[CH:18][CH:17]=[CH:16]4)=[N:7][CH:6]=[N:5][C:4]=2[CH:8]=[CH:9]1 | 2 |
[CH3:1][O-:2].[Na+].CO.Cl[C:7]1[N:12]=[C:11]([O:13][CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2/[C:21](=[N:26]\[O:27][CH3:28])/[C:22]([NH:24][CH3:25])=[O:23])[CH:10]=[CH:9][CH:8]=1.Cl>O>[CH3:1][O:2][C:7]1[N:12]=[C:11]([O:13][CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2/[C:21](=[N:26]\[O:27][CH3:28])/[C:22]([NH:24][CH3:25])=[O:23])[CH:10]=[CH:9][CH:8]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.BrC1=CC2=C(N=C(S2)C2=CC3=CN(N=C3C(=C2)F)C)S1>O.C1CCCO1.C(CCC)[Li]>FC1=CC(=CC2=CN(N=C12)C)C=1SC2=C(N1)SC(=C2)C2(CCN(CC2)C(=O)OC(C)(C)C)O | 3 |
[CH2:1]([NH2:6])[CH2:2][CH2:3][CH2:4][CH3:5].C([O:9][C:10]([C:12]1[S:13][C:14]([N:17]2[CH2:22][CH2:21][N:20]([C:23](=[O:34])[C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[C:30]([F:33])([F:32])[F:31])[CH2:19][CH2:18]2)=[N:15][N:16]=1)=O)C>>[CH2:1]([NH:6][C:10]([C:12]1[S:13][C:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:34])[C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[C:30]([F:33])([F:32])[F:31])[CH2:21][CH2:22]2)=[N:15][N:16]=1)=[O:9])[CH2:2][CH2:3][CH2:4][CH3:5] | 1 |
[Na].[O-]CC.[Na+].[F:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([N+:13]([O-:15])=[O:14])[C:8]=1[CH3:16].[C:17](OCC)(=[O:23])[C:18]([O:20]CC)=[O:19]>CCO.O>[F:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([N+:13]([O-:15])=[O:14])[C:8]=1[CH2:16][C:17](=[O:23])[C:18]([OH:20])=[O:19] | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:10]=[C:11]([N+:13]([O-:15])=[O:14])[CH:12]=1)[C:7](Cl)=[O:8])([O-:3])=[O:2].[CH2:16]([OH:22])[CH2:17][CH2:18][CH2:19][CH2:20][CH3:21]>>[CH2:16]([O:22][C:7](=[O:8])[C:6]1[CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:12]=[C:11]([N+:13]([O-:15])=[O:14])[CH:10]=1)[CH2:17][CH2:18][CH2:19][CH2:20][CH3:21] | 1 |
BrC1=CC=C(C=C1)C#CC>>CC1(OB(OC1(C)C)C1=CC=C(C=C1)C#CC)C | 5 |
OC1[CH:10]=[CH:9][CH:8]=[C:7]2C=1[CH2:4][CH2:5][C:6]2=[O:11].[H-].[Na+].[CH3:14]I.[CH2:16]1[CH2:20][O:19][CH2:18][CH2:17]1>>[CH3:14][C:5]1([CH3:4])[CH2:17][C:16]2[C:7](=[CH:8][CH:9]=[CH:10][C:20]=2[O:19][CH3:18])[C:6]1=[O:11] | 1 |
C(CC#C)O.BrC1=C(C=O)C=C(C=C1)F>[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>FC=1C=CC(=C(C=O)C1)C#CCO | 3 |
C(C)(C)(C)OC(N(CCN1C(C2=C(CCC1)NC(=C2C)C=O)=O)CC)=O>>C(C)NCCN1C(C2=C(CCC1)NC(=C2C)C=O)=O | 5 |
ClC1=CC=C(C=C1)C(C)N.ClC1=C(C=CC=C1)CN1C(=C(C(=C(C1=O)C(=O)NCC(=O)OCC)O)C(=O)OC)O>>ClC1=CC=C(C=C1)C(C)NC(=O)C=1C(=C(C(N(C1O)CC1=C(C=CC=C1)Cl)=O)C(=O)NCC(=O)O)O | 5 |
C(CC(=O)OCC)(=O)OCC>>C(C)OC(C(C(=O)OCC)=O)=O | 5 |
ClC1=NC=C2CCN(CC2=C1)C(=O)OC(C)(C)C.NC=1C=CC(=NC1)NC(CN(C)C)=O>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(CCCCC1)P(C1=C(C=CC=C1OC(C)C)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C1CCCCC1.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C(=CC=C2)OC(C)C)[PH+](C3CCCCC3)C4CCCCC4)C(C)C.C[N-]C1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd+2]>CN(CC(=O)NC1=CC=C(C=N1)NC1=NC=C2CCN(CC2=C1)C(=O)OC(C)(C)C)C | 3 |
BrC1=C(C#N)C=C(C=C1)F.OC1=CC=C(C=C1)B(O)O>O.C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC=1C=C(C(=CC1)C1=CC=C(C=C1)O)C#N | 3 |
[CH3:1][C:2]1([C:7]2[S:11][CH:10]=[C:9]([CH2:12][N:13]3[N:17]=[C:16]([NH2:18])[CH:15]=[N:14]3)[CH:8]=2)[O:6]CCO1.[C:19]1([C:25]2[O:29][CH:28]=[N:27][C:26]=2[C:30](O)=[O:31])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>>[C:2]([C:7]1[S:11][CH:10]=[C:9]([CH2:12][N:13]2[N:17]=[C:16]([NH:18][C:30]([C:26]3[N:27]=[CH:28][O:29][C:25]=3[C:19]3[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=3)=[O:31])[CH:15]=[N:14]2)[CH:8]=1)(=[O:6])[CH3:1] | 1 |
[CH3:1][N:2]([CH2:6][CH:7]1[CH2:11][CH2:10][N:9](CC2C=CC=CC=2)[CH2:8]1)[C:3](=[O:5])[CH3:4].C([OH:21])C>C(O)(=O)C.[OH-].[OH-].[Pd+2]>[C:3]([OH:5])(=[O:21])[CH3:4].[CH3:1][N:2]([CH2:6][CH:7]1[CH2:11][CH2:10][NH:9][CH2:8]1)[C:3](=[O:5])[CH3:4] | 1 |
ON(C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])=O)C>O.ClCCl.CS(=O)(=O)Cl.CN1C=NC=C1>CS(=O)(=O)ON(C(C(C)NC1=C(C=C(C=C1[N+](=O)[O-])C)[N+](=O)[O-])=O)C | 3 |
NC=1C=NC2=CC=CC=C2C1.ClC1=C(C=C(C(=N1)N[C@@H](C(=O)N)CC)F)C#N>>C(#N)C=1C=C(C(=NC1NC=1C=NC2=CC=CC=C2C1)N[C@@H](C(=O)N)CC)F | 5 |
C(C)(=O)OC(C)=O.N1=CC=C2N1C(=CCN2)C=2C=C(C=CC2)NC(C2=CC(=CC=C2)C(F)(F)F)=O>>C(C)(=O)N1C=2N(C(=CC1)C=1C=C(C=CC1)NC(C1=CC(=CC=C1)C(F)(F)F)=O)N=CC2 | 5 |
CP(O)(=O)C>>CP([O-])(=O)C.C(CCC)[N+](CCCC)(CCCC)CCCC | 5 |
C(CC(=O)C)(=O)OC(C)(C)C.ClCC1=CC=C(C(=O)Cl)C=C1>ClCCl.c1ccncc1.[Mg+2].[Cl-].[Cl-]>C(C)(C)(C)OC(=O)C=1C(=NOC1C1=CC=C(C=C1)CCl)C | 3 |
CSSC.S1C(=NC=C1)C(C(C)C)S>>S1C(=NC=C1)C(C(C)C)SSC | 3 |
[C:1]1([C:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)([C@@H:9]2[CH2:13][CH2:12][CH2:11][NH:10]2)[OH:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CSC.[BH3:23].B>C1(C)C=CC=CC=1>[C:1]1([C:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)([CH:9]2[CH2:13][CH2:12][CH2:11][NH:10]2)[OH:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1.[BH3:23] | 1 |
C(C=C)(=O)Cl.Cl.C1NCC2C1CCC2N(C=2C=1N(C=C(C2)C=2C=NN(C2)C)N=CC1)C>N(C)(C)C=O.CCN(CC)CC.C(O)([O-])=O.[Na+]>CN(C1CCC2CN(CC21)C(C=C)=O)C=2C=1N(C=C(C2)C=2C=NN(C2)C)N=CC1 | 3 |
BrC1=CC(=C(C=O)C(=C1)F)F.N1C=C(C2=CC=CC=C12)C[C@@H](C)NC12CC(C1)C2>C1(=CC=CC=C1)C.C(C)(=O)O>C12(CC(C1)C2)N2[C@@H](C=1NC3=CC=CC=C3C1C[C@H]2C)C2=C(C=C(C=C2F)Br)F | 3 |
Cl.FC1(CNCCC1)F.BrC=1C=C2C(=CC=NC2=CC1)C(=O)OC>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].C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>FC1(CN(CCC1)C=1C=C2C(=CC=NC2=CC1)C(=O)OC)F | 3 |
COC(C)(C)C.[N+](=O)([O-])C=1C=C2CNC(C2=CC1)=O>>NC=1C=C2CNC(C2=CC1)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([N+:9]([O-:11])=[O:10])[CH:5]=[CH:6][C:7]=1F.[C:12]([O:19][CH3:20])(=[O:18])[CH2:13][C:14]([O:16][CH3:17])=[O:15].[OH-].[Na+].Cl>CN1C(=O)CCC1.O>[CH3:17][O:16][C:14](=[O:15])[CH:13]([C:7]1[CH:6]=[CH:5][C:4]([N+:9]([O-:11])=[O:10])=[CH:3][C:2]=1[Cl:1])[C:12]([O:19][CH3:20])=[O:18] | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CC1=NC2=CC=3C4CNCC(C3C=C2N1)CC4>>C(C)(C)(C)OC(=O)N1CC2C=3C=C4NC(=NC4=CC3C(C1)CC2)C | 5 |
CC1=CC=C(C=C1)S(=O)(=O)N1C(C(=CC=C1)O)=O>CO[H].C1CCNC1.CCO[H].C=O>CC1=CC=C(C=C1)S(=O)(=O)N1C(C(=C(C=C1)CN1CCCC1)O)=O | 3 |
ClCOC.C(C)(C)(C)OC(=O)N1C[C@H]([C@H](CC1)COC(C)=O)O>>C(C)(C)(C)OC(=O)N1C[C@H]([C@H](CC1)COC(C)=O)OCOC | 5 |
Cl.[CH2:2]1[C:7]2([CH2:12][CH2:11][NH:10][CH2:9][CH2:8]2)[CH2:6][CH2:5][N:4]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:3]1.[CH3:20][O:21][C:22]1[CH:36]=[CH:35][CH:34]=[CH:33][C:23]=1[O:24][C:25]1[CH:26]=[C:27]([CH:30]=[CH:31][CH:32]=1)[CH:28]=O.C(N(CC)CC)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(#N)C>[CH3:20][O:21][C:22]1[CH:36]=[CH:35][CH:34]=[CH:33][C:23]=1[O:24][C:25]1[CH:26]=[C:27]([CH:30]=[CH:31][CH:32]=1)[CH2:28][N:10]1[CH2:11][CH2:12][C:7]2([CH2:2][CH2:3][N:4]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:5][CH2:6]2)[CH2:8][CH2:9]1 | 2 |
ClC1=C(C=C(C(=C1)Cl)C(F)(F)F)[N+](=O)[O-].Cl.Cl.C(C)O[C@@H]1CC[C@H](CC1)N1CCC(CC1)N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>ClC=1C(=CC(=C(C1)NC1CCN(CC1)[C@@H]1CC[C@H](CC1)OCC)[N+](=O)[O-])C(F)(F)F | 3 |
[N:1]1([CH2:7][CH2:8][O:9][C:10]2[CH:15]=[CH:14][C:13]([NH2:16])=[CH:12][CH:11]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[F:17][C:18]1[CH:26]=[C:25]2[C:21]([C:22](=[CH:28]O)[C:23](=[O:27])[NH:24]2)=[CH:20][CH:19]=1>>[F:17][C:18]1[CH:26]=[C:25]2[C:21]([C:22](=[CH:28][NH:16][C:13]3[CH:12]=[CH:11][C:10]([O:9][CH2:8][CH2:7][N:1]4[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]4)=[CH:15][CH:14]=3)[C:23](=[O:27])[NH:24]2)=[CH:20][CH:19]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)OCC1=CC=CC=C1)Cl)C(C)=O>C1CCCO1.[Br-].[Br-].[Br-].C1(=CC=CC=C1)[N+](C)(C)C.C1(=CC=CC=C1)[N+](C)(C)C.C1(=CC=CC=C1)[N+](C)(C)C>C(C1=CC=CC=C1)OC1=C(C=C(C(=C1)OCC1=CC=CC=C1)Cl)C(CBr)=O | 3 |
B1(OC(=O)CN(CC(=O)O1)C)C2CC2.BrC1=C(C=C(C(=C1)F)[N+](=O)[O-])N1N=NN(C1=O)C>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].C1(=CC=CC=C1)C.O.C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>C1(CC1)C1=C(C=C(C(=C1)F)[N+](=O)[O-])N1N=NN(C1=O)C | 3 |
C(C)(=O)OO.C1(=CC=CC=C1)SC1(O)[C@H](O)[C@@H]([C@H](O)[C@H](O1)CO)F>>F[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)SC1=CC=CC=C1)CO)O | 5 |
[C-]#N.[Zn+2].[C-]#N.C(C)OC(CCC(=O)C1=C(C(=CC(=C1)OC1=CC=CC=C1)Br)O)=O>[Zn].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([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2].[Cl-].C[Al+]C>C(C)OC(CCC(=O)C1=C(C(=CC(=C1)OC1=CC=CC=C1)C#N)O)=O | 3 |
Cl[C:2]1[N:7]=[C:6]([C:8]2[N:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:11]3=[N:10][C:9]=2[C:17]2[CH:18]=[C:19]([CH:31]=[CH:32][CH:33]=2)[C:20]([NH:22][C:23]2[C:28]([F:29])=[CH:27][CH:26]=[CH:25][C:24]=2[F:30])=[O:21])[CH:5]=[CH:4][N:3]=1.[CH3:34][O:35][C:36]1[CH:42]=[C:41]([N:43]2[CH2:48][CH2:47][CH:46]([N:49]3[CH2:54][CH2:53][N:52]([CH2:55][CH2:56][S:57]([CH3:60])(=[O:59])=[O:58])[CH2:51][CH2:50]3)[CH2:45][CH2:44]2)[CH:40]=[CH:39][C:37]=1[NH2:38].C1(C)C=CC(S(O)(=O)=O)=CC=1>CC(O)C>[F:30][C:24]1[CH:25]=[CH:26][CH:27]=[C:28]([F:29])[C:23]=1[NH:22][C:20](=[O:21])[C:19]1[CH:31]=[CH:32][CH:33]=[C:17]([C:9]2[N:10]=[C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][N:12]3[C:8]=2[C:6]2[CH:5]=[CH:4][N:3]=[C:2]([NH:38][C:37]3[CH:39]=[CH:40][C:41]([N:43]4[CH2:44][CH2:45][CH:46]([N:49]5[CH2:50][CH2:51][N:52]([CH2:55][CH2:56][S:57]([CH3:60])(=[O:59])=[O:58])[CH2:53][CH2:54]5)[CH2:47][CH2:48]4)=[CH:42][C:36]=3[O:35][CH3:34])[N:7]=2)[CH:18]=1 | 1 |
NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC2CCOCC2)CC)/C=C/C(=O)N(C)C>CO[H].CCO[H].[HH].[Pd]>NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC2CCOCC2)CC)CCC(=O)N(C)C | 3 |
Cl[C:2]1[N:10]2[C:6](=[N:7][C:8]3[CH:14]=[CH:13][CH:12]=[CH:11][C:9]=32)[C:5]([C:15]#[N:16])=[C:4]([CH3:17])[C:3]=1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[CH3:24][N:25]1[CH2:31][CH2:30][CH2:29][NH:28][CH2:27][CH2:26]1.C(N(CC)CC)C>CN(C)C=O>[CH2:18]([C:3]1[C:4]([CH3:17])=[C:5]([C:15]#[N:16])[C:6]2[N:10]([C:2]=1[N:28]1[CH2:29][CH2:30][CH2:31][N:25]([CH3:24])[CH2:26][CH2:27]1)[C:9]1[CH:11]=[CH:12][CH:13]=[CH:14][C:8]=1[N:7]=2)[CH2:19][CH2:20][CH2:21][CH2:22][CH3:23] | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:17]3[C:12](=[C:13]([CH3:22])[C:14]([O:20][CH3:21])=[C:15]([CH3:19])[C:16]=3[CH3:18])[C:11](=[O:23])[C:10]3([CH2:26][CH2:25][CH2:24]3)[CH2:9]2)=[CH:4][CH:3]=1.[BH4-].[Na+].CC(C)=O.CCOC(C)=O>C1COCC1.CO>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[C:17]3[C:12](=[C:13]([CH3:22])[C:14]([O:20][CH3:21])=[C:15]([CH3:19])[C:16]=3[CH3:18])[CH:11]([OH:23])[C:10]3([CH2:24][CH2:25][CH2:26]3)[CH2:9]2)=[CH:6][CH:7]=1 | 1 |
NC=1C=C(C=CC1)NS(=O)(=O)C.ClC=1OC(=CN1)C1=CC(=C(C#N)C=C1)F>>C(#N)C1=C(C=C(C=C1)C1=CN=C(O1)NC=1C=C(C=CC1)NS(=O)(=O)C)F | 5 |
[C:1]([O:6][CH2:7][CH:8]1[O:10][CH2:9]1)(=[O:5])[CH2:2][CH2:3][CH3:4].O.C(OCC1C=CC=CC=1)[C@@H]1OC1>CC(O)=O.C1COCC1>[C:1]([O:6][CH2:7][C@H:8]1[O:10][CH2:9]1)(=[O:5])[CH2:2][CH2:3][CH3:4] | 1 |
[C:1]([C:3]1[C:8]2[S:9][CH:10]=[CH:11][C:7]=2[C:6]([NH:12][C@H:13]([C@@H:26]([OH:28])[CH3:27])[C:14]([NH:16][NH:17][C:18](=O)[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[O:15])=[CH:5][CH:4]=1)#[N:2].CCN(P1(N(C)CCCN1C)=NC(C)(C)C)CC.CO>C1COCC1>[OH:28][C@@H:26]([CH3:27])[C@@H:13]([NH:12][C:6]1[C:7]2[CH:11]=[CH:10][S:9][C:8]=2[C:3]([C:1]#[N:2])=[CH:4][CH:5]=1)[C:14]1[O:15][C:18]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)=[N:17][N:16]=1 | 1 |
COC=1C=C2C=CC(=NC2=CC1)C>ClC=1C=C(C(=O)OO)C=CC1.ClCCCl>COC=1C=C2C=CC(=[N+](C2=CC1)[O-])C | 3 |
C(C1=CC=CC=C1)OC(N[C@@H](C(=O)N)C)=O>N(C)(C)C=O.N1=C(Cl)N=C(Cl)N=C1Cl>C(C1=CC=CC=C1)OC(N[C@H](C)C#N)=O | 3 |
[Cl:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][CH3:11])[C:5](I)=[C:4]([CH3:13])[N:3]=1.[CH2:14]([N:19]1[C:23](=[O:24])[C:22]2=[CH:25][CH:26]=[CH:27][CH:28]=[C:21]2[C:20]1=[O:29])[CH2:15][CH2:16][C:17]#[CH:18].C(N(CC)CC)C.[Cl-].[NH4+]>CN(C)C=O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I.C(OCC)(=O)C>[Cl:1][C:2]1[N:3]=[C:4]([CH3:13])[C:5]([C:18]#[C:17][CH2:16][CH2:15][CH2:14][N:19]2[C:20](=[O:29])[C:21]3[C:22](=[CH:25][CH:26]=[CH:27][CH:28]=3)[C:23]2=[O:24])=[C:6]([NH:8][CH2:9][CH2:10][CH3:11])[N:7]=1 | 1 |
ClC([O:4][C:5](Cl)(Cl)Cl)=O.[Cl:9][C:10]1[CH:15]=[C:14]([C:16]([F:19])([F:18])[F:17])[CH:13]=[C:12]([Cl:20])[C:11]=1[O:21][C:22]1[CH:26]=[C:25]([CH3:27])[NH:24][N:23]=1.[CH:28]1([NH2:31])[CH2:30][CH2:29]1.C(=O)([O-])[O-].[K+].[K+]>C(Cl)(Cl)Cl>[CH:28]1([NH:31][C:5]([N:24]2[C:25]([CH3:27])=[CH:26][C:22]([O:21][C:11]3[C:10]([Cl:9])=[CH:15][C:14]([C:16]([F:19])([F:17])[F:18])=[CH:13][C:12]=3[Cl:20])=[N:23]2)=[O:4])[CH2:30][CH2:29]1 | 1 |
NC1=C(C=CC(=C1)OC(F)(F)F)NC(CCC1CC(C1)N(C)C[C@H]1C[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C=CC1=C2N=CN=C1NCC1=C(C=C(C=C1)OC)OC)=O>C(C)(=O)O>COC1=C(CNC=2C3=C(N=CN2)N(C=C3)[C@@H]3C[C@@H]([C@H]2OC(O[C@H]23)(C)C)CN(C2CC(C2)CCC2=NC3=C(N2)C=CC(=C3)OC(F)(F)F)C)C=CC(=C1)OC | 3 |
Cl.C1(=CC=CC=C1)ON.BrC1=C(C=CC=C1)C(CC)=O>>BrC1=C(C=CC=C1)C=1OC2C(C1C)C=CC=C2 | 5 |
C(C1C2(CCO)CC(C=1)CC2)(OC)=[O:2].[C:15]([O:25]C)(=[O:24])[CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O:22]C)=[O:21].[C:27]1(=[O:33])[O:32][C:30](=[O:31])[CH:29]=[CH:28]1.C([Sn](=O)CCCC)CCC>CO>[C:15]([O-:25])(=[O:24])[CH2:16][CH2:17][CH2:18][CH2:19][C:20]([O-:22])=[O:21].[C:27]([O-:32])(=[O:33])/[CH:28]=[CH:29]\[C:30]([O-:2])=[O:31] | 1 |
[F: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](O)=[O:5].C(Cl)(=O)C(Cl)=O.[NH3:21]>C1COCC1>[F: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]([NH2:21])=[O:5] | 1 |
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