smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br[C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][CH:3]=1.[Mg].[CH3:10][C:11](=[C:13]([C:19]([O:21][CH2:22][CH3:23])=[O:20])[C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH3:12]>C(OCC)C.[Cu]Cl>[CH2:17]([O:16][C:14](=[O:15])[CH:13]([C:11]([C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][CH:3]=1)([CH3:10])[CH3:12])[C:19]([O:21][CH2:22][CH3:23])... | 2 |
ClC1C=C(NC2C=CC(F)=CC=2F)C=CC=1C(C1C=C(C2N=NN(CCO)C=2)C=CC=1C)=O.[Cl:34][C:35]1[CH:40]=[C:39]([NH:41][C:42]2[CH:47]=[CH:46][C:45]([F:48])=[CH:44][C:43]=2[F:49])[CH:38]=[CH:37][C:36]=1[C:50]([C:52]1[CH:57]=[C:56]([C:58]2[N:59]=[N:60][N:61]([CH2:63][CH2:64][CH2:65][O:66]C3CCCCO3)[CH:62]=2)[CH:55]=[CH:54][C:53]=1[CH3:73])... | 1 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:11]([N:13]3[CH2:17][CH2:16][CH2:15][C@H:14]3[CH2:18][O:19][Si](C(C)(C)C)(C)C)=[O:12])[S:10][C:3]=12.[CH:27]1([NH:30][C:31]([C:33]2[C:41]3[C:36](=[CH:37][C:38]([OH:42])=[CH:39][CH:40]=3)[N:35]([CH3:43])[C:34]=2[CH3:44])=[O:32])[CH2:29][CH2:28]1.C([O-])([O-])=O.[Cs+].[Cs+]... | 2 |
[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([NH:14][C:15]([C:17]3[C:21]([NH2:22])=[CH:20][NH:19][N:18]=3)=[O:16])=[CH:10][CH:9]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.Cl[C:24]1[C:25]2[S:32][CH:31]=[CH:30][C:26]=2[N:27]=[CH:28][N:29]=1>>[N:27]1[C:26]2[CH:30]=[CH:31][S:32][C:25]=2[C:24]([NH:22][C:21]2[C:17]([C:15]([NH:14][C:... | 2 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.IC1=C(C=CC=C1)[N+](=O)[O-]>C1CCCO1.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].[Cl-].[Na+]>N1=C(C=CC=C1)C1=C(C=CC=C1)[N+](=O)[O-] | 3 |
[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[S:6][CH:7]=[CH:8][C:4]=2[CH:3]=1.[CH:11](=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>>[CH3:1][C:2]1[CH:10]=[CH:9][C:5]2[S:6][C:7]([CH:11]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[OH:18])=[CH:8][C:4]=2[CH:3]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([CH2:23][O:24][C:25]3[CH:30]=[CH:29][C:28]([C:31]4([CH2:35][C:36]([O:38]CC)=[O:37])[CH2:34][O:33][CH2:32]4)=[CH:27][CH:26]=3)[CH:18]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][CH2:11][CH2:12][S:13]([CH3:16])(=[O:15])=[O:14]>C1COCC1.CO.O.[OH-].[Li+]>[CH3:1][O:... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:11][CH2:12][NH:13][C:14](=[O:23])[C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([CH2:21]Cl)[CH:16]=1.[C:24]([C:26]1[CH:27]=[C:28](B(O)O)[CH:29]=[CH:30][CH:31]=1)#[N:25].C(=O)([O-])[O-].[Na+].[Na+].[I-].[Na+]>C(COC)OC.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC... | 1 |
[C:1]([O:4][CH2:5][C:6]([CH3:36])([CH3:35])[CH2:7][N:8]1[C:14]2[CH:15]=[CH:16][C:17]([Cl:19])=[CH:18][C:13]=2[C@H:12]([C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([O:26][CH3:27])[C:21]=2[O:28][CH3:29])[O:11][C@@H:10]([CH2:30][C:31]([OH:33])=O)[C:9]1=[O:34])(=[O:3])[CH3:2].S(Cl)(Cl)=O.[NH2:41][C:42]1[CH:43]=[C:44]([CH2:48][CH2:... | 2 |
CC1(OB(OC1(C)C)C=1C=C2CCC3=C(NC(=N3)[C@H]3N([C@@H]4CC[C@H]3C4)C(=O)OC(C)(C)C)C2=CC1)C.BrC=1C=C2C=CC3=C(NC(=N3)[C@H]3N(CCC3)C([C@H](C(C)C)NC(OC)=O)=O)C2=CC1>>C(C)(C)(C)OC(=O)N1[C@@H]2CC[C@H]([C@H]1C1=NC3=C(N1)C1=CC=C(C=C1CC3)C=3C=C1C=CC4=C(NC(=N4)[C@H]4N(CCC4)C([C@H](C(C)C)NC(=O)OC)=O)C1=CC3)C2 | 5 |
FC1=CC=C2C(=NNC2=C1)C1CCN(CC1)C(C)=O>Cl>FC1=CC=C2C(=NNC2=C1)C1CCNCC1 | 3 |
Cl.C(=N)N.O=C1C(CSC1)C(=O)OCC>CCO[H].CC[O-].[Na+]>N1=CNC(C2=C1CSC2)=O | 3 |
C(CO)(=O)OC.FC1=C(C(=O)OCC)C(=CC=N1)C=C>C1CCCO1.[H-].[Na+]>COC(COC1=C(C(=O)OCC)C(=CC=N1)C=C)=O | 3 |
C(C)(C)C1=CC=C(C=C1)C=1N=C2N(C=CC=N2)C1CN1CC2CCC(C1)N2C(=O)OC(C)(C)C>Cl.O1CCOCC1>Cl.Cl.C12CN(CC(CC1)N2)CC2=C(N=C1N2C=CC=N1)C1=CC=C(C=C1)C(C)C | 3 |
N1=CC(=CC=C1)B(O)O.BrC=1C=C2C(=CC=NC2=CC1OC)OC1=CC=C(C=C1)N(C(=O)C1(CC1)C(=O)N)C1=CC=C(C=C1)F>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C.C(C)(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C>FC1=CC=C(C=C1)NC(=O)C1(CC1)C(=O)NC1=CC=C(C=C1)OC1=CC=NC2=CC(=C(C=C12)C=1C=NC=CC1)OC | 3 |
N1(N=CC=C1)CCN1N=CC(=C1)[N+](=O)[O-]>>N1(N=CC=C1)CCN1N=CC(=C1)N | 5 |
[SH:1][C:2]1[N:10]=[CH:9]C=C[C:3]=1C(O)=O.CC[O:13][CH:14]1[N:23](C(OCC)=O)[C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[CH:16]=[CH:15]1.[Cl-].[N:30](C1C=CC([NH3+])=CC=1)=[N+:31]=[N-:32].CCN(C(C)C)C(C)C.Br[CH2:50][C:51]([O:53][CH2:54][CH3:55])=[O:52].C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C=O)C.C(OCC)(=O)C.O>[CH2:54]([O:53][C... | 1 |
C(C=1C(S)=CC=CC1)(=O)OC.ClC1=CC(=C(C=C1)F)[N+](=O)[O-]>N(C)(C)C=O.ClCCl.C(=O)([O-])[O-].[Cs+].[Cs+]>COC(C1=C(C=CC=C1)SC1=C(C=C(C=C1)Cl)[N+](=O)[O-])=O | 3 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]2[C:11](=[N:12][C:13]=1[CH3:14])[N:10]=[C:9]([CH3:15])[CH:8]=[C:7]2O)[CH3:2].P(Cl)(Cl)([Cl:19])=O>>[Cl:19][C:7]1[CH:8]=[C:9]([CH3:15])[N:10]=[C:11]2[C:6]=1[CH:5]=[C:4]([O:3][CH2:1][CH3:2])[C:13]([CH3:14])=[N:12]2 | 1 |
C(=O)(OCC1=CC=CC=C1)N1CCC(CC1)(CNC1=CC=CC=C1)O>C1(=CC=CC=C1)C.ClCCl.CCN(CC)CC.C(=O)(Cl)Cl>C1(=CC=CC=C1)N1C(OC2(C1)CCN(CC2)C(=O)OCC2=CC=CC=C2)=O | 3 |
ClCC1=CC(=C(OCC=2N=C(OC2C)C=2OC=CC2)C=C1)OC.OC1=NN(C=C1C(=O)OCC)CC=1C=NC=CC1>>O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(COC2=NN(C=C2C(=O)OCC)CC=2C=NC=CC2)C=C1)OC)C | 5 |
[C:1]1([N:7]2[CH2:12][CH2:11][NH:10][CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:13]([O:17][C:18]([C@H:20]1[CH2:27][C:24]2([CH2:26][CH2:25]2)[CH2:23][NH:22][C@@H:21]1[C:28](O)=[O:29])=[O:19])([CH3:16])([CH3:15])[CH3:14].F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1>CN(C=O)C.C([O-])(O)=O.[Na+]>... | 1 |
C1(CCC1)=O.C(C)(C)(C)OC(=O)N1CCC(CC1)C(=O)N1CCNCCC1>>C1(CCC1)N1CCN(CCC1)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C | 5 |
Br[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH:5]=[N:4][CH:3]=1.[NH2:12][C:13]1[CH:27]=[CH:26][C:16]([C:17]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH3:25])=[O:18])=[C:15]([Cl:28])[CH:14]=1.C(O[Na])(C)(C)C>O1CCOCC1>[Cl:28][C:15]1[CH:14]=[C:13]([NH:12][C:2]2[C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[CH:5]... | 2 |
[CH:1]1([CH2:7][C:8]([OH:10])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[N+](=[CH2:13])=[N-]>CCOCC>[CH:1]1([CH2:7][C:8]([O:10][CH3:13])=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
N#N.[N+:3]([C:6]1[CH:10]=[N:9][NH:8][N:7]=1)([O-:5])=[O:4].C([O-])([O-])=O.[Cs+].[Cs+].Br[CH2:18][CH2:19][CH2:20][CH2:21][C:22]1([CH3:27])[O:26][CH2:25][CH2:24][O:23]1>C(C#N)(C)=O.CC(=O)OCC.O>[CH3:27][C:22]1([CH2:21][CH2:20][CH2:19][CH2:18][N:8]2[N:7]=[C:6]([N+:3]([O-:5])=[O:4])[CH:10]=[N:9]2)[O:26][CH2:25][CH2:24][O:2... | 1 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1.[NH2:11][CH2:12][CH2:13][NH:14][CH2:15][CH2:16][OH:17].CN1CCCC1=O>O>[N+:8]([C:5]1[CH:6]=[CH:7][C:2]([NH:11][CH2:12][CH2:13][NH:14][CH2:15][CH2:16][OH:17])=[CH:3][CH:4]=1)([O-:10])=[O:9] | 1 |
C(CCCCCCC)N.OC(=O)C(C)C1=CC=C(CC(C)C)C=C1>>C(CCCCCCC)[NH3+].[O-]C(=O)C(C)C1=CC=C(CC(C)C)C=C1 | 5 |
BrC1=CC=C(C=C1)C(C(F)(F)F)=O.C(C)(C)OC(C(C)C)=O>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>BrC1=CC=C(C=C1)C(C(C(=O)OC(C)C)(C)C)(C(F)(F)F)O | 3 |
C(C)(=O)C1=CC=CC(=N1)N1N=CC2=CC=C(C=C12)C1=CC=CC(=N1)[C@H](C)N[S@](=O)C(C)(C)C>CO[H].[Na+].[BH4-]>OC(C)C1=CC=CC(=N1)N1N=CC2=CC=C(C=C12)C1=CC=CC(=N1)[C@H](C)N[S@](=O)C(C)(C)C | 3 |
[N:1]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])=[N:2][C:3]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])=[O:4].[CH:17]1([Mg]Br)[CH2:19][CH2:18]1>O1CCCC1>[C:13]([O:12][C:10]([N:1]([CH:17]1[CH2:19][CH2:18]1)[NH:2][C:3]([O:5][C:6]([CH3:7])([CH3:8])[CH3:9])=[O:4])=[O:11])([CH3:16])([CH3:15])[CH3:14] | 1 |
CBr.COC1=CC=C(C=C1)P(C1=C(C=C(C(=C1)C)C)C)(C1=CC=C(C=C1)OC)=O>>OC1=CC=C(C=C1)P(C1=C(C=C(C(=C1)C)C)C)(C1=CC=C(C=C1)O)=O | 5 |
BrC1=C2C(=NC=C1)N(N=C2)C(C(=O)N)(C)C>ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>BrC1=C2C(=NC=C1)N(N=C2)C(C#N)(C)C | 3 |
CSC(NCC(=O)N1CCC(CC1)C)=NC1=C(C=C(C=C1F)F)F>COCCOC.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>CC1CCN(CC1)C=1N(C(=NC1)SC)C1=C(C=C(C=C1F)F)F | 3 |
ClC1=CC=C(CC=2N=C(SC2\C=N\S(=O)(=O)N(C)C)C2=CC=NC=C2)C=C1>>ClC1=CC=C(CC=2N=C(SC2C2=CN=CN2S(=O)(=O)N(C)C)C2=CC=NC=C2)C=C1 | 5 |
C1C(CC2=CC=CC=C12)O>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C1C(CC2=CC=CC=C12)OS(=O)(=O)C | 3 |
C(C1=CC=CC=C1)OC(CBr)=O.CC1=CC2=C(NC(O2)=O)C=C1>>C(C1=CC=CC=C1)OC(CN1C(OC2=C1C=CC(=C2)C)=O)=O | 5 |
ClCCC\C=C/C\C=C/CC>CN(C(C)=O)C.C(C)(=O)[O-].[Na+]>C(C)(=O)OCCC\C=C/C\C=C/CC | 3 |
Cl.NC1(CCS(CC1)(=O)=O)C.FC(OC=1C=CC(=C(C1)N1C(N(C2=C1C=CC(=C2)C(=O)O)C(C)C)=O)F)F>N(C)(C)C=O.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.[OH-].[Li+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(OC=1C=CC(=C(C1)N1C(N(C2=C1C=CC(=C2)C(=O)NC2(CCS(CC2)(=O)=O)C)C(C)C)=O)F)F | 3 |
[NH2:1][C@H:2]([C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][C:42]=1[OH:47])[CH2:3][N:4]1[C:9](=[O:10])[C:8]([N:11]2[CH2:16][CH2:15][N:14]([CH2:17][C:18]3[O:19][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:21][CH:22]=3)[CH2:13][CH2:12]2)=[C:7]([CH3:27])[N:6]([CH2:28][C:29]2[C:34]([C:35]([F:38])([F:37])[F:36])=[CH:33][CH:32]=[CH:31]... | 1 |
[CH3:1][O:2][C:3]1[N:8]=[C:7]([O:9][CH3:10])[N:6]=[C:5]([CH:11]2[C:19]3[C:14](=[C:15]([F:21])[CH:16]=[C:17]([F:20])[CH:18]=3)[NH:13][C:12]2=[O:22])[N:4]=1.CN1C=CN=C1.[F:29][CH:30]([F:35])[S:31](Cl)(=[O:33])=[O:32].O>ClCCl>[F:29][CH:30]([F:35])[S:31]([N:13]1[C:14]2[C:19](=[CH:18][C:17]([F:20])=[CH:16][C:15]=2[F:21])[CH:... | 1 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH2:9][CH:10]([CH2:13][CH3:14])[CH2:11][CH3:12])[CH:3]=1.[CH2:15]([C@@H:17]1[O:19][CH2:18]1)[Cl:16]>>[Cl:16][CH2:15][C@@H:17]([OH:19])[CH2:18][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH2:9][CH:10]([CH2:13][CH3:14])[CH2:11][CH3:12])[CH:3]=1 | 1 |
[H-].C([Al+]CC(C)C)C(C)C.[C:11]([C:13]1[CH:14]=[C:15]([CH:20]=[CH:21][CH:22]=1)[CH2:16][N:17]([CH3:19])[CH3:18])#N.C[OH:24].[OH-].[Na+]>C1(C)C=CC=CC=1.CO.O>[CH3:18][N:17]([CH2:16][C:15]1[CH:14]=[C:13]([CH:22]=[CH:21][CH:20]=1)[CH:11]=[O:24])[CH3:19] | 1 |
C12(CC(C1)C2)N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C>Cl.C(C)(=O)OCC>Cl.Cl.C12(CC(C1)C2)NN | 3 |
Br[C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][NH:6][CH:7]2[CH3:12].C[Sn](C)(C)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=1>>[CH3:12][CH:7]1[C:8]2[C:3](=[C:2]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=3)[CH:11]=[CH:10][CH:9]=2)[CH2:4][CH2:5][NH:6]1 | 1 |
C(CCCCC)Br.C(C)(C)(C)OC(N(CCCCNCCCN1C(NC2=CC=CC=C2C1=O)=O)CCCN1C(NC2=CC=CC=C2C1=O)=O)=O>C1CCCO1.[H-].[Na+]>C(C)(C)(C)OC(N(CCCCN(CCCCCC)CCCN1C(NC2=CC=CC=C2C1=O)=O)CCCN1C(NC2=CC=CC=C2C1=O)=O)=O | 3 |
[C:1]([NH:4][CH2:5][C:6]1[CH:11]=[C:10]([F:12])[CH:9]=[CH:8][C:7]=1[S:13](Cl)(=[O:15])=[O:14])(=[O:3])[CH3:2].[CH:17]1([NH2:20])[CH2:19][CH2:18]1.C(N(CC)CC)C>O1CCCC1>[CH:17]1([NH:20][S:13]([C:7]2[CH:8]=[CH:9][C:10]([F:12])=[CH:11][C:6]=2[CH2:5][NH:4][C:1](=[O:3])[CH3:2])(=[O:15])=[O:14])[CH2:19][CH2:18]1 | 1 |
BrC1=CC=C(C=C1)CBr.C(C1=CC=CC=C1)OC=1C=C2C(=C(NC2=CC1)C1=CC=C(C=C1)F)C>N(C)(C)C=O.O.[H-].[Na+]>C(C1=CC=CC=C1)OC=1C=C2C(=C(N(C2=CC1)CC1=CC=C(C=C1)Br)C1=CC=C(C=C1)F)C | 3 |
C(#N)C=1C(=C(C2=CC=CC=C2C1)CN(C(C(C1=CC(=CC=C1)OC)N1CCN(CC1)C(=O)OC(C)(C)C)=O)C)OC>ClCCl.C(=O)(C(F)(F)F)O>C(#N)C=1C(=C(C2=CC=CC=C2C1)CN(C(C(N1CCNCC1)C1=CC(=CC=C1)OC)=O)C)OC | 3 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:21]=[CH:22][CH:23]=1)[CH2:12][O:13][C:14]1[CH:19]=[N:18][CH:17]=[C:16](Cl)[N:15]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH:24]1[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]1.C([O-])([O-])=O.[K+].[K+].O=[O+][O-]>>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:21]=[CH:22][CH:23]=1)[CH2:12][O:1... | 2 |
BrC=1C=C2C(=NNC2=CC1)C(=O)O>>C1(=CC=CC=C1)C=1C=C2C(=NNC2=CC1)C(=O)O | 5 |
Cl[C:2]1[CH:7]=[C:6]([Cl:8])[N:5]=[CH:4][N:3]=1.[CH3:9][O:10][C:11]1[CH:18]=[CH:17][C:14]([CH2:15][NH2:16])=[CH:13][CH:12]=1.C(N(CC)C(C)C)(C)C>O1CCCC1.C(OCC)(=O)C>[Cl:8][C:6]1[N:5]=[CH:4][N:3]=[C:2]([NH:16][CH2:15][C:14]2[CH:17]=[CH:18][C:11]([O:10][CH3:9])=[CH:12][CH:13]=2)[CH:7]=1 | 2 |
ICC(C)C.C(C=C)[C@H]1N([C@H]([C@H](OC1=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+].C1COCCOCCOCCOCCO1>C(C=C)[C@]1(N([C@H]([C@H](OC1=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC(C)(C)C)CC(C)C | 3 |
[NH3:1].[Na].[S:3]1[CH:7]=[CH:6][C:5]([C:8]#[N:9])=[CH:4]1.[Cl-].[NH4+].O1[CH2:16][CH2:15]CC1>C(#N)C>[NH2:9][C:8]([C:5]1[CH:6]=[CH:7][S:3][CH:4]=1)=[CH:15][C:16]#[N:1] | 1 |
BrCC#N.C(C=C)C1[C@H](N(CC1=O)C(=O)OCC1=CC=CC=C1)C(=O)OC>C1CCCO1.[Cl-].[NH4+].C[Si](C)(C)[N-][Si](C)(C)C.[K+].CN1C(N(CCC1)C)=O>C(C=C)[C@]1([C@H](N(CC1=O)C(=O)OCC1=CC=CC=C1)C(=O)OC)CC#N | 3 |
C([SiH](CC)CC)C.C([O:15][C:16]1[CH:21]=[CH:20][C:19]([N:22]2[C:30]3[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=3)[C:24]([CH:31]=[N:32][OH:33])=[C:23]2[CH3:34])=[CH:18][C:17]=1[F:35])C1C=CC=CC=1.[Cl-].[NH4+].[F-].C([N+](CCCC)(CCCC)CCCC)CCC>ClCCl.O1CCCC1.C(OCC)(=O)C.O.CC([O-])=O.CC([O-])=O.[Pd+2].C(OCC)(=O)C.C(N(CC)CC)C>[F:35]... | 1 |
NNC(=S)N.C(C)(=O)C1=CSC=C1>CO[H].C(C)(=O)O>C(C)(C1=CSC=C1)=NNC(=S)N | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:12]2[C:13]3[CH:20]([CH2:21][C:22](O)=[O:23])[CH2:19][CH2:18][C:14]=3[CH:15]=[N:16][CH:17]=2)[CH:5]=[CH:6][C:7]=1[C:8]([F:11])([F:10])[F:9].FC1C=C(C2C3CCC(CC(O)=O)C=3[CH:39]=[N:40]C=2)C=CC=1C(F)(F)F.C(N(CC)C(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN>CN(C=O)C>[F:1][C:2]... | 2 |
C(#N)C1=CC=C(C(=O)N2C[C@@H]3[C@H](C2)CN(C3)C(=O)OCC3=CC(=CC(=C3)Cl)Cl)C=C1>O.[Br-].[Zn+2].[Br-].[N-]=[N+]=[N-].[Na+].CC(C)O>N1N=NN=C1C1=CC=C(C(=O)N2C[C@@H]3[C@H](C2)CN(C3)C(=O)OCC3=CC(=CC(=C3)Cl)Cl)C=C1 | 3 |
C(C)(=O)OC=1C(=CC2=C(CC(O2)(COC2=CC=C(C=C2)[N+](=O)[O-])C)C1C(C)(C)C)C(C)(C)C>C(C)(=O)OCC.[Pd]C>C(C)(=O)OC=1C(=CC2=C(CC(O2)(C)COC2=CC=C(C=C2)N)C1C(C)(C)C)C(C)(C)C | 3 |
[N+](=O)([O-])C1=C(CO)C=CC=C1[N+](=O)[O-]>Br>BrCC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-] | 3 |
FC=1C(=C2C(C(=CN3C2=C(C1F)OCC3(C)C)C(=O)N)=O)[N+](=O)[O-]>O.CO[H].S(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC1=C2C(C(=CN3C2=C(C(=C1F)F)OCC3(C)C)C(=O)N)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26]([N:28]2[C:39]3[C:31](=[C:32]4[C:36](=[CH:37][CH:38]=3)[NH:35][CH:34]([C:40]([O:42]C)=[O:41])[CH2:33]4)[CH:30]=[CH:29]2)=[O:27])([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:10](=[CH2:13])[CH:11]=[CH2:12])=[CH:5][CH:4]=... | 1 |
O1C(=CC=C2C1=CC=C2)N(C(=O)C(CC2=CC=C(C(=O)O)C=C2)C2=CC=C(C=C2)C2=CCCCC2)C2=CC=CC=C2>>O1C(=CC=C2C1=CC=C2)N(C(=O)C(CC2=CC=C(C(=O)O)C=C2)C2=CC=C(C=C2)C2CCCCC2)C2=CC=CC=C2 | 5 |
C(C#C)N.FC(S(=O)(=O)OC1=C2C(=NC3=CC=C(C=C13)Cl)CCCCC2)(F)F>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C(=O)([O-])[O-].[Cs+].[Cs+].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>ClC=1C=C2C(=C3C(=NC2=CC1)CC... | 3 |
CC(C)([O-])C.[K+].[O:7]1[CH2:11]CC[CH2:8]1.[Cl-].COC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[CH3:35][O:36][C:37]1[CH:38]=[C:39]2[C:44](=[CH:45][C:46]=1[CH:47]=O)[N:43]=[CH:42][CH:41]=[CH:40]2>C(OCC)(=O)C>[CH3:35][O:36][C:37]1[CH:38]=[C:39]2[C:44](=[CH:45][C:46]=1[CH:47]=[CH:8][O:7][CH3:11])[N:43]=[CH:42][CH:41]=[CH:4... | 1 |
[CH2:1]([O:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:16]=[CH:17][C:18]3[N:24]([CH2:25][CH:26]([CH3:28])[CH3:27])[CH2:23][CH2:22][C:21]([C:29]([NH:31][C:32]4[CH:37]=[CH:36][C:35]([S:38][CH2:39][C:40]5[N:41]([CH2:45][CH2:46][OH:47])[CH:42]=[CH:43][N:44]=5)=[CH:34][CH:33]=4)=[O:30])=[CH:20][C:19]=3[CH:48... | 1 |
FC(C1=CC=C(C=C1)C1=CN=CO1)(F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC=1OC(=CN1)C1=CC=C(C=C1)C(F)(F)F | 3 |
ClC=1C=CC(=C2N3C(=NC21)N(CCC3)C3=C(C=C(C=C3Cl)Cl)Cl)C(=O)N>>ClC=1C=CC(=C2N3C(=NC21)N(CCC3)C3=C(C=C(C=C3Cl)Cl)Cl)C#N | 5 |
C=1N=C(N2C1CCCC2)C(=O)C2=C(C=CC=C2)C(F)(F)F>ClCCl.BrN1C(CCC1=O)=O>BrC=1N=C(N2C1CCCC2)C(=O)C2=C(C=CC=C2)C(F)(F)F | 3 |
C(C1=CC=CC=C1)OC(=O)[C@H]1N(CCC1)C([C@@H](C1CCCCC1)NC(=O)OC)=O>>COC(=O)N[C@@H](C(=O)N1[C@@H](CCC1)C(=O)O)C1CCCCC1 | 5 |
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=C(C2)F)C(CC(C)C)O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=C(C2)F)C(CC(C)C)=O | 3 |
C(C)C1=CC=C(CN)C=C1.BrC=1C=C2C(=NC1)N(C=N2)CC2=CC=C(C=C2)OCC>C1(=CC=CC=C1)C.CC(C)(C)[O-].[Na+].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.C(Cl)(Cl)Cl.[Pd].C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1>C(C)OC1=C... | 3 |
[F:1][C:2]([F:13])([F:12])[CH:3]1[CH2:8][CH2:7][CH2:6][NH:5][CH:4]1[C:9]([OH:11])=O.[N:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:26]=[CH:25][C:23]([NH2:24])=[CH:22][CH:21]=2)=[CH:16][CH:15]=1>>[N:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:26]=[CH:25][C:23]([NH:24][C:9]([CH:4]3[CH:3]([C:2]([F:1])([F:13])[F:12])[CH2:8][CH2:7][CH2:6... | 2 |
C(C)(C)(C)OC(N[C@@H](CCSC)C(NCC1=C(C=CC=2C(CCCC12)=O)O[C@H](CN1C=NC=C1)C1=CC=CC=C1)=O)=O>>N[C@H](C(=O)NCC1=C(C=CC=2C(CCCC12)=O)O[C@H](CN1C=NC=C1)C1=CC=CC=C1)CCSC | 5 |
COC1=C(C2=CC=CC=C2C=C1)CC=O.Cl.CC=1C=C2C(=CNC2=CC1)CCN>CCO[H]>Cl.CC=1C=C2C3=C(NC2=CC1)C(NCC3)CC3=C(C=CC1=CC=CC=C31)OC | 3 |
C(C)OC(C(=O)C1=CN(C2=CC=C(C=C12)C1=CC=C(C=C1)OC(F)(F)F)C1=CC=C(C=C1)OC(F)(F)F)=O>C1CCCO1.[OH-].[Li+]>FC(OC1=CC=C(C=C1)N1C=C(C2=CC(=CC=C12)C1=CC=C(C=C1)OC(F)(F)F)C(C(=O)O)=O)(F)F | 3 |
NCCN1CCOCC1.C(C)(C)[C@H]1C(O[C@@H](C1)[C@H](C[C@H](CC1=CC(=C(C=C1)OCCCO)OCCCOC)C(C)C)NC(=O)OC(C)(C)C)=O>C(C)(=O)O>O1CCN(CC1)CCNC([C@@H](C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)OCCCO)OCCCOC)C(C)C)NC(=O)OC(C)(C)C)O)C(C)C)=O | 3 |
[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[C:5]([C:6]([O:8][CH3:9])=[O:7])=[C:4]([N+:13]([O-])=O)[C:3]=1[O:16][CH3:17]>C(O)(=O)C.[Fe]>[NH2:13][C:4]1[C:3]([O:16][CH3:17])=[C:2]([Cl:1])[CH:11]=[C:10]([Cl:12])[C:5]=1[C:6]([O:8][CH3:9])=[O:7] | 1 |
OC=1C(=CN(C(C1)=O)CC1=CC=CC=C1)C(=O)O.OC=1C(=CN(C(C1)=O)CC1=CC=CC=C1)C(=O)NC(C)C>>OC1=C(C(N(C=C1C(=O)NC(C)C)CC1=CC=CC=C1)=O)C(=O)NCC(=O)O | 5 |
[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][N:11]=[C:10]([O:14][CH2:15][CH2:16][CH2:17][NH2:18])[CH:9]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[O:19]1[CH2:24][CH2:23][S:22][CH2:21][C:20]1=[O:25]>C(O)C>[N:1]1([CH2:7][C:8]2[CH:13]=[CH:12][N:11]=[C:10]([O:14][CH2:15][CH2:16][CH2:17][NH:18][C:20](=[O:25])[CH2:21][S:22][CH2:23][CH2:... | 1 |
[NH2:1][CH:2]1[CH2:7][CH2:6][CH:5]([OH:8])[CH2:4][CH2:3]1.[C:9]1(=O)[C:17]2[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:11](=[O:18])[O:10]1>CCO>[OH:8][CH:5]1[CH2:6][CH2:7][CH:2]([N:1]2[C:9](=[O:10])[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11]2=[O:18])[CH2:3][CH2:4]1 | 1 |
[CH3:1][O:2][CH2:3][CH2:4][N:5]1[CH2:11][CH2:10][C:9]2[CH:12]=[C:13]([NH2:16])[CH:14]=[CH:15][C:8]=2[CH2:7][CH2:6]1.[Br:17][C:18]1[N:26]2[C:21]([CH:22]=[N:23][C:24](S(C)=O)=[N:25]2)=[CH:20][CH:19]=1.CN1CCCC1=O>>[Br:17][C:18]1[N:26]2[C:21]([CH:22]=[N:23][C:24]([NH:16][C:13]3[CH:14]=[CH:15][C:8]4[CH2:7][CH2:6][N:5]([CH2:... | 1 |
FC1=CC=CC(=N1)C1(CCC1)C#N>>COC1=CC=CC(=N1)C1(CCC1)C#N | 5 |
C(C)(C)(C)OC(=O)C1=CN(C=C1)C1=NC=C(C=C1)Cl>>ClC=1C=CC(=NC1)N1C=C(C=C1)C(=O)O | 5 |
[Cl:1][C:2]1[C:7]([CH:8]([CH3:10])[CH3:9])=[C:6](Cl)[N:5]2[N:12]=[CH:13][C:14]([C:15]#[N:16])=[C:4]2[N:3]=1.[OH-:17].[Na+]>C1COCC1>[Cl:1][C:2]1[NH:3][C:4]2[N:5]([N:12]=[CH:13][C:14]=2[C:15]#[N:16])[C:6](=[O:17])[C:7]=1[CH:8]([CH3:10])[CH3:9] | 2 |
[Cl:1][C:2]1[C:7](/[C:8](/O)=[CH:9]\[C:10]2[CH:15]=[CH:14][N:13]=[C:12]([Cl:16])[N:11]=2)=[CH:6][CH:5]=[CH:4][C:3]=1[NH:18][S:19]([C:22]1[CH:27]=[C:26]([F:28])[CH:25]=[CH:24][C:23]=1[F:29])(=[O:21])=[O:20].C1C(=O)N(Br)C(=O)C1.[CH3:38][C:39]([CH3:44])([CH3:43])[C:40](=[S:42])[NH2:41]>CC(N(C)C)=O.CCOC(C)=O>[Cl:1][C:2]1[C... | 1 |
ClC=1C=C(C=CC1)N(C(=O)N1CCOCC1)CC1=C(C=C(C(=O)OC)C=C1)F>O.CCO[H].O.NN>ClC=1C=C(C=CC1)N(C(=O)N1CCOCC1)CC1=C(C=C(C=C1)C(=O)NN)F | 3 |
[CH3:1][N:2]1[CH:6]=[CH:5][C:4]([NH:7][C:8]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([OH:18])[CH:16]=3)[N:11]=[CH:10][N:9]=2)=[N:3]1.F[C:20]1[C:27]([CH3:28])=[CH:26][CH:25]=[CH:24][C:21]=1[C:22]#[N:23].C(O[K])(C)(C)C.O>CN(C)C(=O)C>[CH3:28][C:27]1[C:20]([O:18][C:15]2[CH:16]=[C:17]3[C:12](=[CH:13][CH:14]=2)[N:11]=[CH:10][N:9... | 1 |
[H-].[Na+].[SH:3][C:4]1[N:9]2[CH:10]=[CH:11][N:12]=[C:8]2[CH:7]=[CH:6][CH:5]=1.Cl[CH2:14][CH2:15][CH2:16][CH2:17][N:18]1[C:29](=[O:30])[C:28]([CH3:31])=[C:21]2[S:22](=[O:27])(=[O:26])[CH2:23][CH2:24][CH2:25][N:20]2[C:19]1=[O:32].[I-].[Na+]>CN(C)C=O.O>[N:12]1[CH:11]=[CH:10][N:9]2[C:4]([S:3][CH2:14][CH2:15][CH2:16][CH2:1... | 1 |
ClCC(=O)Cl.C(C=C)C1[C@@H](NCC1O)C(=O)OC>ClCCl.CCN(CC)CC>C(C=C)C1[C@@H](N(CC1O)C(CCl)=O)C(=O)OC | 3 |
[O-][Mn](=O)(=O)=O.[K+].[CH2:7]([C:22]1[CH:23]=[C:24]([C:29]([NH:32][C:33](=[O:35])[CH3:34])=[CH:30][CH:31]=1)[C:25]([O:27][CH3:28])=[O:26])[C:8]1[CH:9]=[C:10]([C:15]([NH:18][C:19](=[O:21])[CH3:20])=[CH:16][CH:17]=1)[C:11]([O:13][CH3:14])=[O:12].[O-:36]S([O-])(=O)=O.[Mg+2]>CC(C)=O>[C:7]([C:8]1[CH:9]=[C:10]([C:15]([NH:1... | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC(NC=2N1N=C1C=CC=C(C21)C2=CC=C(C=C2)OC)=O>Cl.O1CCOCC1>Cl.COC1=CC=C(C=C1)C=1C2=C3N(N=C2C=CC1)C(=CC(N3)=O)C3CCNCC3 | 3 |
Cl[C:2](=[N:9][N:10]=[C:11](Cl)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[CH3:18])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[CH3:20][C:21]1[CH:27]=[CH:26][CH:25]=[C:24]([CH3:28])[C:22]=1[NH2:23].CN(C)C1C=CC=CC=1.Cl>ClCCl>[CH3:18][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=1[C:11]1[N:23]([C:22]2[C:24]([CH3:28])=[CH:25... | 1 |
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][N:9](CC=C)[C@H:8]([C:15]2[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][CH:16]=2)[CH2:7]1)=[O:5])[CH3:2].O.Cl.[OH-].[Na+]>[Ru](Cl)(Cl)Cl.C1(C)C=CC=CC=1>[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][NH:9][C@H:8]([C:15]2[CH:16]=[CH:17][C:18]([Cl:21])=[CH:19][CH:20]=2)[CH2:7]1)=[O:5])[CH3:2] | 1 |
ClC1=C(C=NC=C1)[N+](=O)[O-].COC1=CC=C(C=C1)NC(C)=O>>COC1=CC=C(C=C1)N1C(=NC=2C=NC=CC21)C | 3 |
BrC=1C=CN2N=C(N=C(C21)Cl)Cl>C1CCCO1.N>BrC=1C=CN2N=C(N=C(C21)N)Cl | 3 |
CC1=C(C(=CC(=C1)C)C)S(=O)(=O)ON.CC1=NC=C(N=C1)C>C(C)OCC.ClCCl>N[N+]1=C(C=NC(=C1)C)C.CC1=C(C(=CC(=C1)C)C)S(=O)(=O)[O-] | 3 |
CN(C(=O)N)C.ClC1=NC=C2C=C(C(N(C2=C1)CC)=O)C=1C(=CC(=C(C1)NC(=O)NC1=CC=CC=C1)F)F>>FC1=C(C=C(C(=C1)F)NC(=O)NC1=CC=CC=C1)C=1C(N(C2=CC(=NC=C2C1)NC(N(C)C)=O)CC)=O | 5 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[C:4]([C:11]([OH:13])=O)=[C:3]1[CH3:14].C(Cl)(=O)C(Cl)=O.CN(C)C=O.[NH2:26][C@H:27]1[CH:32]2[CH2:33][CH2:34][N:29]([CH2:30][CH2:31]2)[CH2:28]1>ClCCl>[N:29]12[CH2:34][CH2:33][CH:32]([CH2:31][CH2:30]1)[C@H:27]([NH:26][C:11]([C:4]1[C:5]3[C:10](=[CH:9][CH:8]=[CH:7][CH:6... | 1 |
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