smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Cl:1][C:2]1[S:6][C:5]([S:7]([N:10]([CH2:17][CH3:18])[C:11]2([C:14]([OH:16])=O)[CH2:13][CH2:12]2)(=[O:9])=[O:8])=[CH:4][CH:3]=1.CCOC(OC(OCC)=O)=O.[F:30][C:31]([F:48])([F:47])[O:32][C:33]1[CH:38]=[CH:37][C:36]([C:39]2[CH:40]=[C:41]([CH2:45][NH2:46])[CH:42]=[CH:43][CH:44]=2)=[CH:35][CH:34]=1>C1COCC1>[Cl:1][C:2]1[S:6][C:5... | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1.[OH:9][C:10]1[CH:11]=[C:12]([CH:17]=[CH:18][CH:19]=1)[C:13]([O:15][CH3:16])=[O:14].CN(C)CC(O)=O.C([O-])([O-])=O.[Cs+].[Cs+]>O1CCOCC1.[Cu]I>[NH2:8][C:5]1[N:6]=[CH:7][C:2]([O:9][C:10]2[CH:11]=[C:12]([CH:17]=[CH:18][CH:19]=2)[C:13]([O:15][CH3:16])=[O:14])=[CH:3][CH:4]=1 | 1 |
[Li][CH3:2].[N:3]12[CH2:10][CH2:9][CH:6]([CH2:7][CH2:8]1)[C:5](=[O:11])[CH2:4]2.O>C(OCC)C>[CH3:2][C:5]1([OH:11])[CH:6]2[CH2:9][CH2:10][N:3]([CH2:8][CH2:7]2)[CH2:4]1 | 1 |
[CH3:1][N:2]1[C:6](=[O:7])[C:5]([C:8]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([CH3:17])[CH:15]=3)[NH:10][CH:9]=2)=[C:4]([C:18]2[C:26]3[C:21](=[CH:22][CH:23]=[C:24]([CH3:27])[CH:25]=3)[NH:20][CH:19]=2)[C:3]1=[O:28]>CN(C=O)C.[C].[Pd]>[CH3:1][N:2]1[C:3](=[O:28])[CH:4]([C:18]2[C:26]3[C:21](=[CH:22][CH:23]=[C:24]([CH3:27])[CH:... | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10](Cl)(=[O:12])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].[CH:14]([N:17]([CH:21]([CH3:23])[CH3:22])[CH2:18][CH2:19][NH2:20])([CH3:16])[CH3:15]>>[CH3:15][CH:14]([N:17]([CH:21]([CH3:23])[CH3:22])[CH2:18][CH2:19][NH:20][S:10]([C:7]1[CH:8]=[CH:9][C:4]([N+:1]([O-:3])=[O:2])=[CH:5][CH:6]=1)(=[... | 1 |
Br[CH2:2][CH:3]1[CH2:5][C:4]1(F)F.BrCC1CC1.[CH3:13][C:14]1[N:15]=[C:16]([N:24]2[C:28](=[O:29])[NH:27][N:26]=[CH:25]2)[S:17][C:18]=1[C:19]([O:21][CH2:22][CH3:23])=[O:20]>>[CH:5]1([CH2:4][N:27]2[C:28](=[O:29])[N:24]([C:16]3[S:17][C:18]([C:19]([O:21][CH2:22][CH3:23])=[O:20])=[C:14]([CH3:13])[N:15]=3)[CH:25]=[N:26]2)[CH2:3... | 1 |
[N:1]([C:4]1[CH:19]=[CH:18][C:7]([CH2:8]P(=C(C[N+](C)(C)C)O)=O)=[CH:6][CH:5]=1)=[N+:2]=[N-:3].NC1C=CC(C[OH:26])=CC=1.Cl.[N+]([O-])([O-])=O.[Na+].[N-]=[N+]=[N-].[Na+]>>[N:1]([C:4]1[CH:19]=[CH:18][C:7]([CH2:8][OH:26])=[CH:6][CH:5]=1)=[N+:2]=[N-:3] | 1 |
ClC=1N=C(C2=C(N1)C(CC2)C2=CC=C(C=C2)F)Cl>CC#N.C(C)(C)N(C(C)C)CC.C(CN)N>ClC=1N=C(C2=C(N1)C(CC2)C2=CC=C(C=C2)F)NCCN | 3 |
NC1(CC1)C(=O)O.COC(=O)C=1C=C(C=C2C(CC(NC12)C1=CC(=CC=C1)Br)(C)C)Cl>>C(=O)(O)C1(CC1)NC=1C=C(C=CC1)C1NC2=C(C=C(C=C2C(C1)(C)C)Cl)C(=O)O | 5 |
ClC1=NC=CC=N1.O1CCN(CC1)C=1C2=C(N=C(N1)C1=CC3=C(NC(N3)=O)C=C1)CNCC2>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>O1CCN(CC1)C=1C2=C(N=C(N1)C1=CC3=C(NC(N3)=O)C=C1)CN(CC2)C2=NC=CC=N2 | 3 |
[C:1]1([O:7][C:8](Cl)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F-:11].[Na+].C1OCCOCCOCCOCCOC1>C(#N)C>[C:1]1([O:7][C:8]([F:11])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
FC1=CC=C(C=C1)C1=C2CC(NC2=CC=C1)=O.CC1=CC(=C(N1)C=O)C(=O)N1CCN(CC1)C>>FC1=CC=C(C=C1)C1=C2C(C(NC2=CC=C1)=O)=CC=1NC(=CC1C(=O)N1CCN(CC1)C)C | 5 |
N(OC(C)(C)C)=O.NC1C=CC(S(F)(F)(F)(F)F)=CC=1C.N.[Br:23][C:24]1[C:29](Br)=[CH:28][C:27]([S:31]([F:36])([F:35])([F:34])([F:33])[F:32])=[CH:26][C:25]=1[CH3:37]>C(#N)C.CCOCC>[Br:23][C:24]1[CH:29]=[CH:28][C:27]([S:31]([F:36])([F:32])([F:33])([F:34])[F:35])=[CH:26][C:25]=1[CH3:37] | 2 |
ClC(C(=N)N)(Cl)Cl.Cl.C(C)(=O)OC(CN)COC1=CC=CC=C1>N(C)(C)C=O.O.CCN(CC)CC>Cl.C(C)(=O)OC(CNC(C(Cl)(Cl)Cl)=N)COC1=CC=CC=C1 | 3 |
Cl[C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]([CH3:13])[CH3:12])=[C:4]([NH:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([F:21])[CH:16]=2)[N:3]=1.[CH2:22]([CH2:24][NH2:25])[OH:23]>C(OCC)(=O)C>[F:21][C:17]1[CH:16]=[C:15]([NH:14][C:4]2[N:3]=[C:2]([NH:25][CH2:24][CH2:22][OH:23])[N:10]=[C:9]3[C:5]=2[N:6]=[CH:7][N:8]3[CH:1... | 1 |
C(C)OC(=O)C1=CC2=C(N(C(=N2)C2=CC(=C(C=C2)N)C=O)C2CCCCC2)C=C1.ClC1=CC=C(C=C1)C=1C(=CC2=C(OCCCO2)C1)C(C)=O>CCO[H].[OH-].[K+]>ClC1=CC=C(C=C1)C=1C(=CC2=C(OCCCO2)C1)C1=NC2=CC=C(C=C2C=C1)C1=NC2=C(N1C1CCCCC1)C=CC(=C2)C(=O)O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:12][OH:13])[CH:6]=[CH:7][C:8]=1[N+:9]([O-])=O>CO.[Ni]>[NH2:9][C:8]1[CH:7]=[CH:6][C:5]([CH2:12][OH:13])=[CH:4][C:3]=1[O:2][CH3:1] | 2 |
Cl.[CH3:2][O:3][NH2:4].[C:5](=[O:8])([O-])[O-].[K+].[K+].Cl.[N:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1CCl>O>[CH3:2][O:3][N:4]=[C:5]([C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][N:12]=1)[OH:8] | 1 |
C1N2CN3CN1CN(C2)C3.BrCC1=C(C=C(C=C1)Cl)S(=O)(=O)C>C(C)(=O)OCC>ClC1=CC(=C(CN)C=C1)S(=O)(=O)C | 3 |
FC1=C(C(=C(C(=C1I)F)F)F)F.COC1=C(C=C(C=C1)C)B1OC(C(O1)(C)C)(C)C>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=C(C(=C(C(=C1F)F)F)F)C1=C(C=CC(=C1)C)OC | 3 |
[CH3:1][C:2]1[C:7]([CH3:8])=[C:6]([O:9][CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:5]([CH3:17])=[CH:4][C:3]=1[OH:18].Br[CH2:20][CH2:21][CH2:22][C:23]([CH3:29])([CH3:28])[C:24]([O:26][CH3:27])=[O:25].C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH3:28][C:23]([CH3:29])([CH2:22][CH2:21][CH2:20][O:18][C:3]1[CH:4]=[C:5](... | 1 |
CO[C@H]1[C@H](OC)O[C@H]2[C@@H]1OC[C@H]2OC(=O)C2=CC=CC=C2>CO[H].[OH-].[Na+].C(C)(=O)OCC.CCCCCC.CCCC(C)C.CCC(C)CC>CO[C@H]1[C@H](OC)O[C@H]2[C@@H]1OC[C@H]2O | 3 |
Cl.N12C[C@@H](C(CC1)CC2)C(=O)Cl.NC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)NC(C)C>>Cl.C(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)NC(=O)[C@H]1CN2CCC1CC2 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH3:8])[C:3]=1[CH2:9][NH2:10].[Br:11][C:12]1[CH:13]=[CH:14][C:15]2[N:16]([CH:18]=[C:19]([C:21](OCC)=[O:22])[N:20]=2)[CH:17]=1>>[Br:11][C:12]1[CH:13]=[CH:14][C:15]2[N:16]([CH:18]=[C:19]([C:21]([NH:10][CH2:9][C:3]3[C:4]([CH3:8])=[CH:5][CH:6]=[CH:7][C:2]=3[Cl:1])=[O:22])[N:20]=2)[CH:... | 1 |
[C:1]1([CH3:19])[CH:6]=[CH:5][C:4](/[CH:7]=[CH:8]/[C:9]2[CH:14]=[CH:13][N:12]=[C:11]([NH:15][C:16]([NH2:18])=[O:17])[CH:10]=2)=[CH:3][CH:2]=1.[OH:20][CH:21]([C:33]1[CH:38]=[CH:37][C:36]([CH3:39])=[CH:35][CH:34]=1)[CH2:22][C:23]1[CH:28]=[CH:27][N:26]=[C:25]([NH:29][C:30]([NH2:32])=[O:31])[CH:24]=1>C(O)C.[Pd]>[C:1]1([CH3... | 1 |
[CH3:1][N:2]([CH:4]=[O:5])[CH3:3].[CH3:6][CH2:7][OH:8].[CH:9]1([N:15]=C=NC2CCCCC2)CCCC[CH2:10]1>C(Cl)Cl.CN(C)C1C=CN=CC=1>[CH3:1][N:2]([CH3:3])[C:4]([C@@H:9]1[CH2:10][O:8][CH2:7][CH2:6][NH:15]1)=[O:5] | 1 |
N1N=CC(=C1)B(O)O.ClC1=NC2=CC=C(C=C2N=C1N(C)C(C)C)C(=O)OC>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)N(C=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C=1C=NNC1)C | 3 |
CI.O1C(OCC1)C1=CC(=C(C=C1)C=1C=NNC1)[N+](=O)[O-]>>O1C(OCC1)C1=CC(=C(C=C1)C=1C=NN(C1)C)[N+](=O)[O-] | 5 |
C1(=CC=CC=C1)O.C(C)C1=CC=2[C@H]3[C@H](N(C(C2C(=C1)C)=O)CCO)CN(C3)C(=O)OC(C)(C)C>>C(C)C1=CC=2[C@H]3[C@H](N(C(C2C(=C1)C)=O)CCOC1=CC=CC=C1)CN(C3)C(=O)OC(C)(C)C | 5 |
[NH2:1][C:2]1[C:3]2[C:13](=[O:14])[N:12]([C:15]3[CH:20]=[CH:19][C:18]([C:21]([CH3:25])([CH3:24])[CH2:22][OH:23])=[CH:17][CH:16]=3)[CH2:11][CH2:10][C:4]=2[N:5]=[C:6]([O:8][CH3:9])[N:7]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>ClCCl>[NH2:1][C:2]1[C:3]2[C:13](=[O:14])[N:12]([C:15]3[CH:20]=[CH:19][C:18]([C:21]([CH3:... | 2 |
CNC(=O)NC=1C=CC2=C(C(CO2)=O)C1.COC=1C=C2C(=C(NC2=CC1)C=1C(=NN(C1C)CCOC)C)C=O>>COC=1C=C2C(=C(NC2=CC1)C=1C(=NN(C1C)CCOC)C)\C=C\1/OC2=C(C1=O)C=C(C=C2)NC(=O)NC | 5 |
[CH2:1]([C@@:3]12[C@@:14]([CH2:16][CH2:17][C:18]3[C:23]([CH2:24][C:25]([O:27]CC)=[O:26])=[C:22]([F:30])[CH:21]=[CH:20][N:19]=3)([OH:15])[CH2:13][CH2:12][C:11]1=[CH:10][C:9]1[N:8]([C:31]3[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=3)[N:7]=[CH:6][C:5]=1[CH2:4]2)[CH3:2].[OH-].[Na+]>CCO>[CH2:1]([C@@:3]12[C@@:14]([CH2:16][... | 2 |
Cl[Si](C)(C)C.ClC1=CC(=C(C(=C1)F)N1CCC(CC1)=O)F>N(C)(C)C=O.O.CCN(CC)CC>ClC1=CC(=C(C(=C1)F)N1CCC(=CC1)O[Si](C)(C)C)F | 3 |
[CH2:1]([C:6]1[CH:7]=[C:8]2[C:20]3=[C:21]4[C:11](=[CH:12][CH:13]=[C:14]([CH2:22][O:23][C@@H:24]5[C@H:28]([OH:29])[C@@H:27]([CH2:30][OH:31])[O:26][C@H:25]5[N:32]5[CH:39]=[CH:38][C:36](=[O:37])[NH:35][C:33]5=[O:34])[C:15]4=[CH:16][CH:17]=[C:18]3[CH:19]=1)[CH:10]=[CH:9]2)[C:2]([CH3:5])([CH3:4])[CH3:3].[C:40](Cl)([C:57]1[C... | 2 |
C(C)OC(CN1C(=NC=2C1=NC=CC2)C2=C(C=CC=C2)Cl)=O>[OH-].[Na+].C(C)O.O>ClC1=C(C=CC=C1)C1=NC=2C(=NC=CC2)N1CC(=O)O | 3 |
FC1=CC=C(C=C1)[C@@H]1COC2=CC(=CC=C2[C@@H]1C1=CC=C(C=C1)O)OC.Cl.ClCCN1CCCC1>C([O-])([O-])=O.[K+].[K+].CC(=O)C.[I-].[Na+]>FC1=CC=C(C=C1)[C@@H]1COC2=CC(=CC=C2[C@@H]1C1=CC=C(C=C1)OCCN1CCCC1)OC | 3 |
[O:1]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[C:5](=[N:12]O)[CH2:4][CH2:3][CH2:2]1.[BH4-].[Na+].O.N>COCCOC.[Ti](Cl)(Cl)(Cl)Cl>[NH2:12][CH:5]1[C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=2[O:1][CH2:2][CH2:3][CH2:4]1 | 1 |
C(C)C1=C(C=CC=C1)O>ClCCl.BrN1C(CCC1=O)=O.C(C)(C)N(C(C)C)CC>BrC1=C(C(=CC=C1)CC)O | 3 |
NC1=NC(=C(C(=N1)SC)C=1C=CC(N(N1)C(C)C)=O)C1=CC=CC=C1>CO[H].C[O-].[Na+]>NC1=NC(=C(C(=N1)OC)C=1C=CC(N(N1)C(C)C)=O)C1=CC=CC=C1 | 3 |
[F:1][C@H:2]1[C@@H:7]([O:8][C:9]2[C:16]([CH3:17])=[CH:15][C:14]([C:18]3[N:23]=[C:22]([NH:24][C:25]4[CH:30]=[CH:29][C:28]([N:31]5[CH2:36][CH2:35][N:34]([CH:37]6[CH2:40][O:39][CH2:38]6)[CH2:33][CH2:32]5)=[CH:27][CH:26]=4)[N:21]=[CH:20][N:19]=3)=[CH:13][C:10]=2[C:11]#[N:12])[CH2:6][CH2:5][NH:4][CH2:3]1.CN(C(ON1N=NC2C=CC=N... | 2 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[CH2:11][C:12]([OH:14])=O.[CH:15]([NH2:19])([CH2:17][CH3:18])[CH3:16]>CS(C)=O>[CH:15]([N:19]1[C:2]2[C:3](=[CH:4][C:5]([N+:8]([O-:10])=[O:9])=[CH:6][CH:7]=2)[CH2:11][C:12]1=[O:14])([CH2:17][CH3:18])[CH3:16] | 2 |
C1(=CC=CC=C1)CC#C.ClC1=C(C(=CC=C1)I)Cl>>ClC1=C(C(=CC=C1)C#CCC1=CC=CC=C1)Cl | 5 |
COC(C(CC1CCCC1)C1=CC=C(C=C1)I)=O.N1C=CC2=CC(=CC=C12)B(O)O>>COC(C(CC1CCCC1)C1=CC=C(C=C1)C=1C=C2C=CNC2=CC1)=O | 5 |
[NH2:1][CH:2]1[C:11]2[CH:10]=[N:9][CH:8]=[C:7]([C:12]3[CH:19]=[CH:18][C:15]([C:16]#[N:17])=[CH:14][CH:13]=3)[C:6]=2[CH2:5][CH2:4][CH2:3]1.Cl[C:21]([O:23][CH2:24][CH3:25])=[O:22]>>[C:16]([C:15]1[CH:14]=[CH:13][C:12]([C:7]2[C:6]3[CH2:5][CH2:4][CH2:3][CH:2]([NH:1][C:21](=[O:22])[O:23][CH2:24][CH3:25])[C:11]=3[CH:10]=[N:9]... | 1 |
CC(C)(C)OC(=O)N1CCC(=CC1)B(O)O.BrC1=C(C=C(N)C=C1Cl)Cl>>C(C)(C)(C)OC(=O)N1CCC(=CC1)C1=C(C=C(C=C1Cl)N)Cl | 5 |
C(CC)NC(NC1=CC(=C(C=N1)C=1SC(=C(N1)C(=O)OCC)C(=O)OCC)C=1SC=C(N1)C(F)(F)F)=O>CO[H].NN>OC1=C2C(=C(N=N1)O)SC(=N2)C=2C(=CC(=NC2)NC(=O)NCCC)C=2SC=C(N2)C(F)(F)F | 3 |
[Br:1][C:2]1[CH:7]=[C:6]([N+:8]([O-])=O)[C:5]([N:11]([CH2:14][C:15]2[CH:25]=[CH:24][C:18]3[N:19]=[C:20]([S:22][CH3:23])[S:21][C:17]=3[CH:16]=2)[CH:12]=O)=[C:4]([F:26])[CH:3]=1.CC(O)=O>[Fe].CCO>[Br:1][C:2]1[CH:3]=[C:4]([F:26])[C:5]2[N:11]([CH2:14][C:15]3[CH:25]=[CH:24][C:18]4[N:19]=[C:20]([S:22][CH3:23])[S:21][C:17]=4[C... | 1 |
[CH3:1][C:2](C)([O-:4])[CH3:3].[K+].CC(O)C.[Br:11][C:12]1[CH:17]=[C:16](F)[C:15]([N+:19]([O-:21])=[O:20])=[CH:14][C:13]=1[Cl:22].O>CN(C=O)C>[Br:11][C:12]1[CH:17]=[C:16]([O:4][CH:2]([CH3:3])[CH3:1])[C:15]([N+:19]([O-:21])=[O:20])=[CH:14][C:13]=1[Cl:22] | 2 |
BrC=1C=CC=2C3=C(NC2C1)C(=CN=C3O)C(=O)OC>O1CCOCC1.P(=O)(Cl)(Cl)Cl>BrC=1C=CC=2C3=C(NC2C1)C(=CN=C3Cl)C(=O)OC | 3 |
N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O.[Cl:19][C:20]1[CH:39]=[CH:38][C:23]([NH:24][C:25]2[C:34]3[C:29](=[CH:30][C:31]([OH:37])=[C:32]([O:35][CH3:36])[CH:33]=3)[N:28]=[CH:27][N:26]=2)=[C:22]([F:40])[CH:21]=1.[CH3:41][N:42]1[CH2:47][CH2:46][CH2:45][CH:44]([CH2:48]O)[CH2:43]1.C(P(CCCC)CCCC)CCC>C(Cl)Cl.CCOCC>[Cl:19][C:20]1[CH:39]... | 1 |
C1(NNC(C=2C1=CN=NC2)=O)=O>P(Cl)(Cl)(Cl)(Cl)Cl.P(=O)(Cl)(Cl)Cl>ClC1=NN=C(C=2C1=CN=NC2)Cl | 3 |
C(O[C:6](=O)[N:7](C)[CH2:8][CH2:9][NH:10][C:11]1[N:12]=[CH:13][C:14]2[S:19][CH:18]=[C:17]([C:20](=[O:32])[NH:21][C:22]3[C:30]4[N:29]=[CH:28][N:27]([CH3:31])[C:26]=4[CH:25]=[CH:24][CH:23]=3)[C:15]=2[N:16]=1)(C)(C)C.[ClH:35]>O1CCOCC1>[ClH:35].[CH3:31][N:27]1[C:26]2[CH:25]=[CH:24][CH:23]=[C:22]([NH:21][C:20]([C:17]3[C:15]... | 2 |
C(C)(C)(C)OC(=O)N1C2CC(CC1CC2)=CC(=O)OCC>>C(C)(C)(C)OC(=O)N1C2CC(CC1CC2)=CCO | 5 |
BrC=1C=C(C=C(C1)C(C)(C)C)C(C#N)(C)C>>C(C)(C)(C)C=1C=C(C=C(C1)B1OC(C(O1)(C)C)(C)C)C(C#N)(C)C | 5 |
C(C1=CC=CC=C1)NCC\C=C\C1=CC=C(C=C1)F>O(O[H])[H].C1CCCO1.ClCCl.[OH-].[Na+].II.B.C1CCOC1>C(C1=CC=CC=C1)NCCC(CC1=CC=C(C=C1)F)O | 3 |
O[C@@H]1CN(CC[C@H]1C1=CC=C2C(=NN(C2=C1)C)N1C(N(C(CC1)=O)CC1=CC=C(C=C1)OC)=O)C(=O)OC(C)(C)C>C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O>COC1=CC=C(C=C1)CN1C(N(CCC1=O)C1=NN(C2=CC(=CC=C12)[C@H]1[C@@H](CNCC1)O)C)=O | 3 |
[SH:1][C:2]1[NH:3][C:4]2[C:5](=[CH:7][S:8][CH:9]=2)[N:6]=1.Br.[CH2:11]([N:13]([CH2:22][CH3:23])[C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH2:16]Br)[CH3:12]>>[CH2:22]([N:13]([CH2:11][CH3:12])[C:14]1[CH:21]=[CH:20][CH:19]=[CH:18][C:15]=1[CH2:16][S:1][C:2]1[NH:6][C:5]2=[CH:7][S:8][CH:9]=[C:4]2[N:3]=1)[CH3:23] | 1 |
C12CN(CC(CC1)N2)C(=O)OC(C)(C)C.BrC=1C(NN=CC1Br)=O>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.C>BrC1=C(C=NNC1=O)N1C2CN(CC1CC2)C(=O)OC(C)(C)C | 3 |
C(C)(C)(C)OC(=O)N1C=CC2=C(C=CC=C12)Br>O.CS(=O)C.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>CC1(OB(OC1(C)C)C1=C2C=CN(C2=CC=C1)C(=O)OC(C)(C)C)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5](O)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.Br[CH2:13][C:14]([C:16]1[CH:21]=[CH:20][C:19]([N+:22]([O-:24])=[O:23])=[CH:18][CH:17]=1)=[O:15]>>[CH3:1][O:2][C:3]1[C:4]2[CH:13]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([N+:22]([O-:24])=[O:23])=[CH:18][CH:17]=3)[O:15][C:5]=2[CH:6]=[C:7]([O:9][CH3:10])[CH:... | 1 |
Br[CH2:2][C:3]1[CH:12]=[CH:11][C:10]2[C:9]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:8][CH:7]=[CH:6][C:5]=2[N:4]=1.[P:18]([O:25]CC)([O:22][CH2:23][CH3:24])[O:19][CH2:20][CH3:21]>>[CH2:16]([O:15][C:13]([C:9]1[C:10]2[CH:11]=[CH:12][C:3]([CH2:2][P:18]([O:22][CH2:23][CH3:24])([O:19][CH2:20][CH3:21])=[O:25])=[N:4][C:5]=2[C... | 1 |
[F:1][C:2]1[CH:12]=[CH:11][CH:10]=[CH:9][C:3]=1[NH:4][C:5]([O:7][CH3:8])=[O:6].[CH3:13][C:14]1(O)[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1.CCCCCC>S(=O)(=O)(O)O>[F:1][C:2]1[CH:12]=[C:11]([C:14]2([CH3:13])[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]2)[CH:10]=[CH:9][C:3]=1[NH:4][C:5]([O:7][CH3:8])=[O:6] | 1 |
CS([O:5][S:6]([CH3:9])(=[O:8])=[O:7])(=O)=O.[Cl:10][C:11]1[S:12][C:13]([CH2:16]O)=[CH:14][N:15]=1.N1C=CC=CC=1>O1CCCC1>[Cl:10][C:11]1[S:12][C:13]([CH2:16][O:5][S:6]([CH3:9])(=[O:7])=[O:8])=[CH:14][N:15]=1 | 1 |
C(C)(C)(C)C1=CC(=C(C=C1)C#C)[N+](=O)[O-]>>C(C)(C)(C)C1=CC(=C(C(=O)O)C=C1)[N+](=O)[O-] | 5 |
NC1=NC=CC(=N1)C1=C(N=C(S1)C1CCN(CC1)C(=O)OC(C)(C)C)C1=C(C(=CC=C1)NS(=O)(=O)C1=COC=C1)F>ClCCl.C(=O)(C(F)(F)F)O>NC1=NC=CC(=N1)C1=C(N=C(S1)C1CCNCC1)C=1C(=C(C=CC1)NS(=O)(=O)C1=COC=C1)F | 3 |
BrCC(=O)OCC.N1(C=NC2=C1C=CC=C2)C2=C1N=CNC1=NC(=N2)Cl>N(C)(C)C=O.Cl.[H-].[Na+]>N1(C=NC2=C1C=CC=C2)C2=C1N=CN(C1=NC(=N2)Cl)CC(=O)OCC | 3 |
CC1=C2C(=NC(=C1C#N)C)NCC2>CO[H].Cl.[HH].[Pd]>CC1=C2C(=NC(=C1CN)C)NCC2 | 3 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C@@:3]2([C:13]3=[CH:14][C:15]4[O:19][CH2:18][O:17][C:16]=4[CH:20]=[C:12]3[O:11][CH2:10]2)[C:2]1=[O:21].C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:29][C:30]1[O:31][C:32]([C:35]([F:38])([F:37])[F:36])=[CH:33][CH:34]=1>CN(C)C=O>[F:36][C:35]([F:38])([F:37])[C:32]1[O:31][C:30]([CH2:2... | 2 |
N1CC(C1)C(=O)O.C(CC)C1=CC=C(C=C1)C1=NOC2=C1CCC1=CC(=CC=C12)C=O>CO[H].C(C)(=O)O.ClCCCl.C(#N)[BH3-].[Na+]>C(CC)C1=CC=C(C=C1)C1=NOC2=C1CCC1=CC(=CC=C12)CN1CC(C1)C(=O)O | 3 |
[OH:1][P:2](O)([OH:4])=[O:3].C([O-])([O-])=O.[Ca+2:10]>>[O-:4][P:2](=[O:3])=[O:1].[O-:4][P:2](=[O:3])=[O:1].[Ca+2:10] | 1 |
[NH:1]1[CH2:6][CH2:5][CH:4]([O:7][C:8](=[O:13])[C:9]([CH3:12])([CH3:11])[CH3:10])[CH2:3][CH2:2]1.[CH3:14][C@@H:15]1[CH2:17][O:16]1>C(O)C>[OH:16][C@H:15]([CH3:17])[CH2:14][N:1]1[CH2:6][CH2:5][CH:4]([O:7][C:8](=[O:13])[C:9]([CH3:10])([CH3:12])[CH3:11])[CH2:3][CH2:2]1 | 1 |
CON(CC)[C:4](=[O:21])[CH2:5][CH:6]1[CH2:11][CH2:10][N:9]([CH2:12][C:13]2[C:14]([O:19][CH3:20])=[N:15][CH:16]=[CH:17][CH:18]=2)[CH2:8][CH2:7]1.[S:24]1[CH:28]=[CH:27][CH:26]=[C:25]1[Li].[Cl-].[NH4+]>O1CCCC1>[CH3:20][O:19][C:14]1[C:13]([CH2:12][N:9]2[CH2:8][CH2:7][CH:6]([CH2:5][C:4](=[O:21])[C:25]3[S:24][CH:28]=[CH:27][CH... | 1 |
Br[C:2]([CH3:14])([CH3:13])[C:3]([C:5]1[CH:10]=[CH:9][C:8]([CH2:11][Br:12])=[CH:7][CH:6]=1)=[O:4].[O:15]1CCOCC1.[OH-:21].[Na+:22]>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.O>[Br:12][CH2:11][C:8]1[CH:9]=[CH:10][C:5]([C:3](=[O:4])[C:2]([OH:15])([CH3:14])[CH3:13])=[CH:6][CH:7]=1.[OH-:21].[Na+:22] | 1 |
NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)OC2=CC=CC=C2)C2CC(CC2)=O>C1CCCO1.C(C)OCC.C[Li].[Cl-].[NH4+].[Cl-].[Ce+3].[Cl-].[Cl-]>NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)OC2=CC=CC=C2)C2CC(CC2)(O)C | 3 |
BrC=1C=C2C(=C(C=NC2=CC1F)[N+](=O)[O-])Cl.N[C@@H]1[C@H](CN(CC1)C(=O)OC(C)(C)C)F>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>BrC=1C=C2C(=C(C=NC2=CC1F)[N+](=O)[O-])N[C@@H]1[C@H](CN(CC1)C(=O)OC(C)(C)C)F | 3 |
BrC1=CC=C(C=C1)NC=1C(=CC=CC1)N>ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>BrC1=CC=C(C=C1)N1C(NC2=C1C=CC=C2)=O | 3 |
C(C1=CC=CC=C1)OCCBr.[C@@H]12OC[C@@H](NC1)C2>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OCCN1[C@@H]2CO[C@H](C1)C2 | 3 |
ClC1=NC=C(C=N1)F.CC1=CSC=2C3(N(C(C21)=O)C)CC2(C3)CC2>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+]>ClC1N=CC(=C(N1)C1=C(C2=C(C3(N(C2=O)C)CC2(C3)CC2)S1)C)F | 3 |
S(=O)(=O)(O)[OH:2].[Cl:6][C:7]1[CH:13]=[CH:12][CH:11]=[C:10]([Cl:14])[C:8]=1[NH2:9].OO.[OH-:17].[Na+]>[Br-].C([N+](C)(C)C)CCCCCCCCCCCCC.C1(C)C=CC=CC=1.O[W](O)(=O)=O>[Cl:6][C:7]1[CH:13]=[CH:12][CH:11]=[C:10]([Cl:14])[C:8]=1[N+:9]([O-:2])=[O:17] | 1 |
[CH3:1][C@@:2]([C:12]([OH:14])=[O:13])([CH2:4][C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1)[NH2:3].CO.[CH2:17]([Br:24])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>[OH-].[Na+].[O-]S([O-])(=O)=O.[Cu+2]>[BrH:24].[NH2:3][C:2]([CH3:1])([CH2:4][C:5]1[CH:10]=[CH:9][C:8]([O:11][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:... | 1 |
ClC1=NC=C(N=C1)C(F)(F)F.O[C@@H]1[C@H](CCC1)NC(C1=C(C=CC=C1)N1N=CC=N1)=O>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>N=1N(N=CC1)C1=C(C(=O)N[C@@H]2[C@H](CCC2)OC2=NC=C(N=C2)C(F)(F)F)C=CC=C1 | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH:14]([N:19]2[CH2:25][CH2:24][CH2:23][N:22]([C:26]3[C:27]([O:36][CH3:37])=[CH:28][CH:29]=[C:30]4[C:35]=3[N:34]=[CH:33][CH:32]=[CH:31]4)[CH2:21][CH2:20]2)[CH2:15][C:16]([OH:18])=O)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:38]1([CH2:43][CH2:44][NH2:45])[CH2:42][... | 1 |
NC=1C=CC(=C(C1)CO)OC(F)(F)F>CC#N.[Cu](Cl)Cl.N(=O)OC(C)(C)C>ClC=1C=CC(=C(C1)CO)OC(F)(F)F | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC=1C(=CC(=NC1)N)Cl>>NC1=NC=C(C(=C1)Cl)C#N | 5 |
C1C=CC(P(C2C=CC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=CC=2)C2C=CC=CC=2)=CC=1.[OH:47][CH2:48][C@@H:49]1[NH:53][C:52](=[O:54])[CH2:51][CH2:50]1.[Br:55][C:56]1[CH:57]=[N:58][CH:59]=[C:60](O)[CH:61]=1>C1COCC1>[Br:55][C:56]1[CH:61]=[C:60]([O:47][CH2:48][C@@H:49]2[NH:53][C:52](=[O:54])[CH2:51][CH2:50]2... | 1 |
[CH2:1]([O:5][C:6]1[C:7]2[CH:14]=[CH:13][NH:12][C:8]=2[N:9]=[CH:10][N:11]=1)[CH:2]([CH3:4])[CH3:3].[Cl:15]N1C(=O)CCC1=O.ClC(Cl)C(O)=O>C1COCC1>[Cl:15][C:14]1[C:7]2[C:6]([O:5][CH2:1][CH:2]([CH3:4])[CH3:3])=[N:11][CH:10]=[N:9][C:8]=2[NH:12][CH:13]=1 | 2 |
C[O:2][C:3](=[O:33])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]([S:22]([C:25]2[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][CH:26]=2)(=[O:24])=[O:23])[C@@H:12]2[CH2:18][C:17]([CH3:20])([CH3:19])[CH2:16][CH2:15][NH:14][C:13]2=[O:21])=[C:6]([F:32])[CH:5]=1.[OH-].[Na+]>C1COCC1>[Cl:31][C:28]1[CH:29]=[CH:30][C:25]([S:22]([N:11]([CH2:1... | 1 |
C(C)(C)(C)OC(NC(CNC(=O)C1=C(N=C2N1C=C(C=C2OCC2=CC=CC=C2)C)C)(CCC)C)=O>>OC=1C=2N(C=C(C1)C)C(=C(N2)C)C(=O)NCC(CCC)(C)NC(OC(C)(C)C)=O | 5 |
C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[C:15]3[CH2:23][CH2:22][C@H:21]([CH3:24])[NH:20][C:16]=3[N:17]=[CH:18][N:19]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:25]>C(Cl)Cl.O1CCOCC1>[CH3:24][C@@H:21]1[NH:20][C:16]2[N:17]=[CH:18][N:19]=[C:14]([N:11]3[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]3)[C:15]=2[CH2:23][CH2:22]1.[ClH:25] | 1 |
C1(CC1)N1N=C(C(C(=C1)C1=CC=C(C=C1)F)=O)C(=O)O.ClC=1C(=NC=CC1OC1=NC=C(C=N1)N)NCC1=CC=C(C=C1)OC>O.c1ccncc1.P(=O)(Cl)(Cl)Cl>ClC=1C(=NC=CC1OC1=NC=C(C=N1)NC(=O)C1=NN(C=C(C1=O)C1=CC=C(C=C1)F)C1CC1)NCC1=CC=C(C=C1)OC | 3 |
C1(CCC(CC1)=O)=O>CCO[H].N1CCCCC1>OC1=CC=C(C=C1)N1CCCCC1 | 3 |
ClC=1C(=CC(=C(N)C1)[N+](=O)[O-])OC>>Cl.Cl.ClC=1C=C(C(=CC1OC)N)N | 5 |
[CH2:1]([SH:4])[CH:2]=[CH2:3].[C:5](O)([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.S(=O)(=O)(O)O>C(O)(=O)C>[CH2:1]([S:4][C:5]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)([C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1)[C:12]1[C... | 1 |
BrC=1C=CC(=C(C=O)C1)OCCCCCCC>[Na+].[BH4-].CCO[H]>BrC=1C=CC(=C(CO)C1)OCCCCCCC | 3 |
IC1C(N(C=2N(CC1)N=C(C2)C2CCOCC2)C)=O>N(C)(C)C=O.O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C1C(N(C=2N(CC1)N=C(C2)C2CCOCC2)C)=O | 3 |
[C:1]1([P:7](OCC)[O:8][CH2:9][CH3:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:14]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[OH:24])([CH3:17])([CH3:16])[CH3:15]>>[C:1]1([P:7]([O:24][C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=2[C:14]([CH3:17])([CH3:15])[CH3:16])[O:8][CH2:9][CH3:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
BrC=1C(=C(N)C=CC1)C(=O)O>O.Cl.N(=O)[O-].[Na+]>BrC1=C2C(=NNC2=CC=C1)O | 3 |
COC[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C1=NC2=C(N1)C1=CC3=C(C=C1C=C2)C2=CC=C(C=C2CO3)B3OC(C(O3)(C)C)(C)C.BrC1=CN=C(N1)[C@H]1N([C@H](CC1)C)C([C@H](C(C)C)NC(OC)=O)=O>>COC(=O)N[C@@H](C(C)C)C(=O)N1[C@@H](CC[C@@H]1C)C=1NC(=CN1)C1=CC=C2C(=C1)COC1=C2C=C2C=CC3=C(N=C(N3)[C@H]3N(C[C@H](C3)COC)C(=O)OC(C)(C)C)C2=C1 | 5 |
C(#CC)[Mg]Br.C(C1=CC=CC=C1)OC=1C=C(C=O)C=CC1>>C(C1=CC=CC=C1)OC=1C=C(C=CC1)C(C#CC)O | 5 |
[C:1]1([C:7]2[N:12]=[C:11]([OH:13])[CH:10]=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Cl:14][P:15](Cl)[Cl:16].C(N(CC)CC)C>ClCCl>[Cl:14][P:15]([Cl:16])[O:13][C:11]1[CH:10]=[CH:9][CH:8]=[C:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[N:12]=1 | 2 |
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