smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(=CC=CC=C1)C1=CC=C(C=C1)O.BrCC=1C=C(C#N)C=CC1>N(C)(C)C=O.[H-].[Na+]>C1(=CC=C(C=C1)OCC=1C=C(C#N)C=CC1)C1=CC=CC=C1 | 3 |
O=C1NC2=CC=C(C=C2NC1=O)C#N>N(C)(C)C=O.ClS(Cl)=O.ClCCCl>ClC1=NC2=CC=C(C=C2N=C1Cl)C#N | 3 |
Cl[C:2]1[CH:7]=[N:6][CH:5]=[C:4]([Cl:8])[N:3]=1.[F:9][C:10]1[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=1.CC(C)([O-])C.[K+]>CN(C)C=O>[Cl:8][C:4]1[CH:5]=[N:6][CH:7]=[C:2]([O:16][C:13]2[CH:14]=[CH:15][C:10]([F:9])=[CH:11][CH:12]=2)[N:3]=1 | 2 |
OCCCOCC#CC1=CC2=C(N(C(N2C)=O)C2C(NC(CC2)=O)=O)C=C1>C1CCCO1.[HH].[Pd].[OH-].[Pd+2].[OH-]>OCCCOCCCC1=CC2=C(N(C(N2C)=O)C2C(NC(CC2)=O)=O)C=C1 | 3 |
C(C1=CC=CC=C1)N1C=C(C=2N=CNC(C21)=O)C#N>>C(C1=CC=CC=C1)N1C(=C(C=2N=CNC(C21)=O)C#N)Cl | 5 |
C(C=C)OC(=O)C(C(=O)OCC=C)CCCCC(=O)OCC.BrCCC1=CC=C(C#N)C=C1>>C(C=C)OC(=O)C(C(=O)OCC=C)(CCCCC(=O)OCC)CCC1=CC=C(C=C1)C#N | 5 |
CI.C(C)C1=C(OC2=C1C=CC=C2)C(C)N[S@](=O)C(C)(C)C>>CN([S@](=O)C(C)(C)C)[C@H](C)C=1OC2=C(C1CC)C=CC=C2 | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8](C#N)[C:9](=[O:20])[CH2:10][C:11]([CH3:19])([CH3:18])[CH2:12][C:13]([O:15]CC)=O)=[CH:4][CH:3]=1.C([O-])(=O)CCCCC>>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[C:9](=[O:20])[CH2:10][C:11]([CH3:18])([CH3:19])[CH2:12][C:13]2=[O:15])=[CH:6][CH:7]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[CH2:14][CH2:13][CH2:12]2)(=[O:10])=[O:9])=[CH:4][C:3]=1[N:21]1[C:30](=[O:31])[C:29]2[C:28]([C:32]([O:34]C)=[O:33])=[CH:27][CH:26]=[CH:25][C:24]=2[NH:23][C:22]1=[O:36].O.[OH-].[Li+].C1COCC1.Cl>O.CO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5](... | 2 |
[CH3:1][O:2][C:3]([C:5]1([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1)=[O:4].[N:18]12[CH2:25]C[CH:21]([CH2:22][CH2:23]1)[C@@H:20](O)[CH2:19]2.C1(C)C=CC=CC=1>CCCCCCC.[Na]>[N:18]12[CH2:23][CH2:22][CH:21]([CH2:20][CH2:19]1)[C@@H:1]([O:2][C:3]([C:5]1([C:12]3[CH:17]=[CH:16][CH... | 2 |
CS[C:3](=[N:18][CH2:19][Si](C)(C)C)[C:4]1[CH:9]=[CH:8][C:7]([C:10](=[O:16])[NH:11][CH:12]2[CH2:15][S:14][CH2:13]2)=[C:6]([CH3:17])[CH:5]=1.[Cl:24][C:25]1[CH:30]=[C:29]([C:31]([C:33]([F:36])([F:35])[F:34])=[CH2:32])[CH:28]=[C:27]([Cl:37])[CH:26]=1.O.O.O.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.O>C1COCC1>[Cl:24][C:25]1[CH:30]=[C:... | 1 |
Br[C:2]1[CH:11]=[CH:10][C:9]2[N:8]=[CH:7][C:6]3[N:12]([CH3:23])[C:13](=[O:22])[N:14]([C:15]4[C:16]([CH3:21])=[N:17][N:18]([CH3:20])[CH:19]=4)[C:5]=3[C:4]=2[CH:3]=1.[CH:24]([N:27]([CH3:43])[C:28]1[CH:33]=[C:32](B2OC(C)(C)C(C)(C)O2)[CH:31]=[CH:30][N:29]=1)([CH3:26])[CH3:25]>>[CH3:20][N:18]1[CH:19]=[C:15]([N:14]2[C:5]3[C:... | 1 |
[CH2:1]([O:3][C:4]([C:6]1[C:10]2=[N:11][CH:12]=[CH:13][C:14](Cl)=[C:9]2[NH:8][C:7]=1[CH3:16])=[O:5])[CH3:2].[CH:17]1([CH2:20][O:21][C:22]2[CH:27]=[C:26]([O:28][CH3:29])[CH:25]=[CH:24][C:23]=2B2OC(C)(C)C(C)(C)O2)[CH2:19][CH2:18]1>>[CH:17]1([CH2:20][O:21][C:22]2[CH:27]=[C:26]([O:28][CH3:29])[CH:25]=[CH:24][C:23]=2[C:14]2... | 1 |
O=C(CC(=O)OCC)C1=CC=C(C=C1)C(F)(F)F.NC1=NNC=C1C1=NC=CC=C1>>N1=C(C=CC=C1)C=1C=NN2C1NC(=CC2=O)C2=CC=C(C=C2)C(F)(F)F | 5 |
BrC=1C=CC(=C(C1)NS(=O)(=O)C1=CC(=CC=C1)C(F)(F)F)F.C=C1CC(C1)(C#N)C[C@@H]1OC1>C1CCCO1.[OH-].[Na+].C([O-])([O-])=O.[K+].[K+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>BrC1=CC2=C(O[C@H](CN2S(=O)(=O)C2=CC(=CC=C2)C(F)(F)F)CC2(CC(C2)=C)C#N)C=C1 | 3 |
[Cl:1][C:2](Cl)([C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([N+:13]([O-])=O)[CH:8]=1)[C:3](Cl)([Cl:5])[CH3:4].Cl>[Fe].C(O)C>[Cl:1][C:2]([C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([NH2:13])[CH:8]=1)=[C:3]([Cl:5])[CH3:4] | 1 |
C1(\C(\C)=C/C(=O)O1)=O.CC(C)C1=NSC(=N1)N>C1(=CC=CC=C1)C.O.C(C)(=O)OCC.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(O)([O-])=O.[Na+]>CC1=CC(N(C1=O)C1=NC(=NS1)C(C)C)=O | 3 |
S(=O)(=O)([O-])[O-].[Si](C)(C)(C(C)(C)C)OC(CCC1C(N(C1=O)C1=CC=C(C=C1)F)C1=C(C=C(OCCC[NH3+])C=C1)O)C1=CC=C(C=C1)F.[Si](C)(C)(C(C)(C)C)OC(CCC1C(N(C1=O)C1=CC=C(C=C1)F)C1=C(C=C(OCCC[NH3+])C=C1)O)C1=CC=C(C=C1)F>C1CCCO1.N>S(=O)(=O)([O-])[O-].FC1=CC=C(C=C1)N1C(C(C1=O)CCC(O)C1=CC=C(C=C1)F)C1=C(C=C(OCCC[NH3+])C=C1)O.FC1=CC=C(C=... | 3 |
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[F:8][C:9]([F:14])([F:13])[C:10]([OH:12])=[O:11].C([NH:19][C:20]([N:22]1[CH2:27][CH2:26][N:25]([C:28]2[CH:29]=[CH:30][C:31]3[NH:32][C:33]4[N:49]=[C:37]([NH:38][C:39]5[CH:40]=[CH:41][CH:42]=[C:43]([CH:48]=5)[CH2:44][CH2:45][C:46]=2[CH:47]=3)[N:36]=[CH:35][C:34]=4[Cl:50])[CH2:2... | 1 |
[CH3:1][CH:2]([CH2:5][CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]1)[CH2:3][OH:4].CN(C1C=CC=CN=1)C.C(N(CC)CC)C.[C:28](OC(=O)C)(=[O:30])[CH3:29]>C1(C)C=CC=CC=1>[C:28]([O:4][CH2:3][CH:2]([CH3:1])[CH2:5][CH:6]1[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7]1)(=[O:30])[CH3:29] | 1 |
Br[C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:3]=1.[Cl:10][C:11]1[CH:16]=[CH:15][C:14](B(O)O)=[CH:13][CH:12]=1.[F-].[K+]>C1COCC1>[Cl:10][C:11]1[CH:16]=[CH:15][C:14]([C:2]2[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:3]=2)=[CH:13][CH:12]=1 | 1 |
C(\C=C\C=C\C)(=O)O>N(C)(C)C=O.ClS(Cl)=O>C(\C=C\C=C\C)(=O)Cl | 3 |
[F:1][C:2]1[CH:16]=[CH:15][C:5]2[C:6]([CH:9]3[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]3)=[N:7][O:8][C:4]=2[CH:3]=1.Cl[CH2:18][CH2:19][CH2:20][O:21][C:22]1[CH:30]=[C:29]2[C:25]([CH:26]=[CH:27][NH:28]2)=[CH:24][C:23]=1[O:31][CH3:32].C([O-])([O-])=O.[K+].[K+].C(#N)C>O>[F:1][C:2]1[CH:16]=[CH:15][C:5]2[C:6]([CH:9]3[CH2:10][CH... | 1 |
C([Mg]Cl)(C)C.[Br:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1I.[Cl-].[C:15]1([PH:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C(O)C>C1COCC1>[C:22]1([P:21]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[Br:6])[CH:23]=[CH:24][CH:25]=... | 2 |
[CH3:1][O:2][C:3](=[O:10])[CH2:4][C@@H:5]([CH3:9])[C:6]([OH:8])=O.C(Cl)(=O)C(Cl)=O.[NH2:17][C:18]1[CH:27]=[C:26]([Cl:28])[CH:25]=[CH:24][C:19]=1[C:20]([O:22][CH3:23])=[O:21].C(N(CC)CC)C>C(Cl)Cl.CN(C=O)C>[CH3:23][O:22][C:20](=[O:21])[C:19]1[CH:24]=[CH:25][C:26]([Cl:28])=[CH:27][C:18]=1[NH:17][C:6](=[O:8])[C@H:5]([CH3:9]... | 1 |
[CH3:1][N:2]([C@H:37]1[CH2:41][CH2:40][N:39]([S:42]([CH3:45])(=[O:44])=[O:43])[CH2:38]1)[C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[N:18]=[C:17]3[C:13]([N:14]=[CH:15][N:16]3C3CCCCO3)=[C:12]([O:25][C:26]3[CH:27]=[C:28]([NH:32][C:33](=[O:36])[CH:34]=[CH2:35])[CH:29]=[CH:30][CH:31]=3)[N:11]=2)=[CH:5][CH:4]=1.Cl>CCO>[CH3:1][N:2... | 2 |
C(C)(C)(C)C1=CC=C(C(=O)NC=2C(=CC=CC2)NC(=O)C=2C=CC3=C(N(C=N3)S(=O)(=O)C3=CC=C(C)C=C3)C2)C=C1>C1CCCO1.OC1=CC=CC=2NN=NC21>N1=CNC2=C1C=C(C=C2)C(=O)NC=2C(=CC=CC2)NC(C2=CC=C(C=C2)C(C)(C)C)=O | 3 |
C1(=CC=CC=C1)C=1NC(N(N1)C1CCNCC1)=O.ClC1=CC(=NC=N1)C(=O)C1=CC2=C(NC(O2)=O)C(=C1)C>>CC1=CC(=CC2=C1NC(O2)=O)C(=O)C2=NC=NC(=C2)N2CCC(CC2)N2N=C(NC2=O)C2=CC=CC=C2 | 5 |
C(C)OC(=O)C=1C=NN2C1N=C(C=C2C(N[C@H]2CCC1=C(C(=CC=C21)C(=O)OC(C)(C)C)C)=O)C>>C(C)(C)(C)OC(=O)C=1C(=C2CC[C@@H](C2=CC1)NC(=O)C1=CC(=NC=2N1N=CC2C(=O)O)C)C | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[CH2:10]Br.[OH-:12].[K+]>O>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[CH2:10][CH:4]([CH3:3])[C:5]([OH:8])=[O:12] | 1 |
C1=CC=C(C=C1)C2=C3C4=CC=CC5=C4C(=CC=C5)C3=C(C2=O)C6=CC=CC=C6.C#CC1=CC=C(C=C1)C2=CC=CC=C2>ClC1=C(C=CC=C1)Cl>C1(=CC=C(C=C1)C=1C(=C2C3=CC=CC4=CC=CC(C2=C(C1)C1=CC=CC=C1)=C43)C4=CC=CC=C4)C4=CC=CC=C4 | 3 |
BrC1=CC=C(C2=C(C=C(C=C12)CO)OC)OC(C)C>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.BrC(C(Br)(Cl)Cl)(Cl)Cl>BrC1=CC=C(C2=C(C=C(C=C12)CBr)OC)OC(C)C | 3 |
IC1=CC=C(C=C1)C1(CC1)C(=O)O>CC#N.O.C1CCCO1.ClCCl.C(C(=O)Cl)(=O)Cl.CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC>IC1=CC=C(C=C1)C1(CC1)C=1OCCN1 | 3 |
[C:1]1([C:11]2[CH:16]=[CH:15][C:14](S([O-])(=O)=O)=[CH:13][CH:12]=2)[CH:6]=[CH:5][C:4](S([O-])(=O)=O)=[CH:3][CH:2]=1.[K+].[K+].[OH-:23].[K+].[OH2:25]>>[C:4]1([OH:25])[CH:5]=[CH:6][C:1]([C:11]2[CH:16]=[CH:15][C:14]([OH:23])=[CH:13][CH:12]=2)=[CH:2][CH:3]=1 | 1 |
CN(C)[CH:3]=[CH:4][C:5]([C:7]1[N:11]([CH:12]([CH3:14])[CH3:13])[C:10]([CH3:15])=[N:9][CH:8]=1)=O.Cl.[NH2:18][C:19]([NH2:21])=[NH:20].C[O-].[Na+]>C(O)CCC>[NH2:20][C:19]1[N:21]=[C:5]([C:7]2[N:11]([CH:12]([CH3:13])[CH3:14])[C:10]([CH3:15])=[N:9][CH:8]=2)[CH:4]=[CH:3][N:18]=1 | 1 |
C(N(CCC)[CH2:5][CH2:6][CH2:7][CH2:8][CH:9]([NH2:25])[C:10]1[CH:15]=[CH:14][C:13]([CH2:16][N:17]=[CH:18][C:19]2[O:20][C:21]([CH3:24])=[CH:22][CH:23]=2)=[CH:12][CH:11]=1)CC.C[N:30]1[CH2:34][CH2:33][CH2:32][C:31]1=O.[CH:36](NC(C)C)(C)[CH3:37].[CH2:43](Br)[CH2:44][CH2:45][CH2:46][CH2:47][CH3:48]>O>[CH2:34]([N:30]([CH2:31][... | 1 |
C(=O)([O-])[O-].[K+].[K+].[OH:7][N:8]1[C:12](=[O:13])[C:11]2=[CH:14][CH:15]=[CH:16][CH:17]=[C:10]2[C:9]1=[O:18].C1OCCOCCOCCOCCOCCOC1.[CH:37]1(Br)[CH2:42][CH2:41][CH2:40][CH2:39][CH2:38]1>CS(C)=O.O>[CH:37]1([O:7][N:8]2[C:9](=[O:18])[C:10]3[C:11](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12]2=[O:13])[CH2:42][CH2:41][CH2:40][CH... | 1 |
C(C(=O)O)(=O)O.C1OCC12CNC2.ClC1=C(C=C2C(C(=CN(C2=N1)C1=C(C=C(C=C1F)F)F)C(=O)NC(C)C(C(F)(F)F)(F)F)=O)F>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>FC=1C=C2C(C(=CN(C2=NC1N1CC2(COC2)C1)C1=C(C=C(C=C1F)F)F)C(=O)NC(C)C(C(F)(F)F)(F)F)=O | 3 |
[Cl:1][C:2]1[N:7]=[C:6](/[CH:8]=[N:9]/[S@:10]([C:12]([CH3:15])([CH3:14])[CH3:13])=[O:11])[CH:5]=[CH:4][CH:3]=1.Br[CH2:17][CH:18]=[CH2:19]>C1COCC1>[Cl:1][C:2]1[N:7]=[C:6]([C@@H:8]([NH:9][S@:10]([C:12]([CH3:15])([CH3:14])[CH3:13])=[O:11])[CH2:19][CH:18]=[CH2:17])[CH:5]=[CH:4][CH:3]=1 | 2 |
NCCCCCN.ClC1=C(C=C(C=C1)C=1N=NN(C1)[C@@H]1[C@H]([C@@H](O[C@H]2[C@@H]1O[C@H](OC2)C2=CC=CC=C2)C2=NC(=NN2C2=C(C=CC(=C2)Cl)Cl)C)OCC(=O)O)F>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C=C(C=C1)C=1N=NN(C1)[C@@H]1[C@H]([C@@H](O[C@H]2[C@@H]1O[C@H](OC2)C2=CC=CC=C2)C2=NC(=NN2C2=C(C=CC(=C2... | 3 |
ClCC(=O)N1CCN(CC1)C1=C(C#N)C=CC=N1.C(CCC)C1=CC=C(C=C1)NS(=O)(=O)C>>C(CCC)C1=CC=C(C=C1)N(S(=O)(=O)C)CC(=O)N1CCN(CC1)C1=NC=CC=C1C#N | 5 |
Cl.C1NCC=2C(=CC=CC12)C(=O)OCC.ClC=1OC2=C(N1)CC(CC2)C(F)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC(C1CCC2=C(N=C(O2)N2CC=3C=CC=C(C3C2)C(=O)OCC)C1)(F)F | 3 |
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[CH:7][N:8]2[CH2:11][C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)=[CH:4][CH:3]=1.Cl[CH2:24][CH2:25][O:26][C:27]1[CH:35]=[CH:34][CH:33]=[CH:32][C:28]=1[C:29]([OH:31])=[O:30]>>[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([CH:17]3[CH2:18][CH2:19][N:20... | 1 |
FC1=CC(=C(C=C1)C1=NN(C2=NC=CC(=C21)C2=CSC=C2)S(=O)(=O)C2=CC=C(C)C=C2)OC>O.CO[H].C([O-])([O-])=O.[K+].[K+]>FC1=CC(=C(C=C1)C1=NNC2=NC=CC(=C21)C2=CSC=C2)OC | 3 |
[CH2:1]([C:5](=[CH2:22])[C:6]([C:8]1[CH:13]=[CH:12][C:11]([NH:14]C(=O)C(C)(C)C)=[C:10]([F:21])[CH:9]=1)=[O:7])[CH2:2][CH2:3][CH3:4].OS(O)(=O)=O>C(Cl)Cl>[NH2:14][C:11]1[CH:12]=[C:13]2[C:8](=[CH:9][C:10]=1[F:21])[C:6](=[O:7])[CH:5]([CH2:1][CH2:2][CH2:3][CH3:4])[CH2:22]2 | 1 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([CH2:6][C:7]#[N:8])=[CH:4][CH:3]=1.[Br:11]([O-])(=O)=O.[Na+].S(=O)(O)[O-].[Na+].C(OCC)C>C(OCC)(=O)C.O>[Br:11][CH:6]([C:5]1[CH:9]=[CH:10][C:2]([Cl:1])=[CH:3][CH:4]=1)[C:7]#[N:8] | 2 |
[CH3:1][C:2]1[N:7]=[C:6](/[CH:8]=[CH:9]/[C:10]2[CH:15]=[CH:14][C:13]([S:16][CH3:17])=[CH:12][CH:11]=2)[N:5]=[C:4](O)[CH:3]=1.O=P(Cl)(Cl)[Cl:21]>>[Cl:21][C:4]1[CH:3]=[C:2]([CH3:1])[N:7]=[C:6](/[CH:8]=[CH:9]/[C:10]2[CH:15]=[CH:14][C:13]([S:16][CH3:17])=[CH:12][CH:11]=2)[N:5]=1 | 1 |
ClC=1C=C(N)C=CC1OC1=CC(=CC=C1)C(F)(F)F.C(C1=CC=CC=C1)(=O)OCCOCCN1N=CC=2N=CN=C(C21)SC>>ClC=1C=C(C=CC1OC1=CC(=CC=C1)C(F)(F)F)NC=1C2=C(N=CN1)C=NN2CCOCCO | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([C:7]2[CH:11]=[C:10]([C:12]([F:15])([F:14])[F:13])[N:9]([C:16]3[N:21]=[N:20][C:19]([NH2:22])=[CH:18][CH:17]=3)[N:8]=2)[CH:2]=1.C(N(CC)C(C)C)(C)C.[CH2:32]([N:34]1[C:39](=[O:40])[CH:38]=[CH:37][C:36]([C:41](Cl)=[O:42])=[CH:35]1)[CH3:33].C(=O)(O)[O-].[Na+]>O1CCCC1>[N:1]1[CH:6]=[CH:5][CH:4]=... | 2 |
[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].Cl.[CH:10]([C:12]([CH3:14])=O)=[CH2:11]>C(O)C.O.O.O.O.O.O.[Fe](Cl)(Cl)Cl.[Cl-].[Zn+2].[Cl-]>[F:1][C:2]1[CH:8]=[CH:7][CH:6]=[C:5]2[C:3]=1[N:4]=[CH:11][CH:10]=[C:12]2[CH3:14] | 1 |
C(C1=CC=CC=C1)OC=1C=C2C=CN(C2=CC1)C>CCO[H].O.O.[Pd].C(=O)[O-].[NH4+]>CN1C=CC2=CC(=CC=C12)O | 3 |
[NH2:1][CH2:2][CH2:3][CH2:4][C:5]1([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[N:9]([C:10](=[O:14])[CH:11]([CH3:13])[CH3:12])[N:8]=[C:7]([C:15]2[CH:20]=[C:19]([F:21])[CH:18]=[CH:17][C:16]=2[F:22])[O:6]1.[CH3:29][C:30]([CH3:32])=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(#N)C.C([O-])([O-])=O.[Na+].[Na+]>[F:22][C:16]1[... | 1 |
C(C)C1=C(C(=CC=C1)CC)C1=CC(=C(C(=N1)C#N)CO[Si](C)(C)C)OC>CC#N.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Br)(Br)(Br)Br>BrCC=1C(=NC(=CC1OC)C1=C(C=CC=C1CC)CC)C#N | 3 |
FC1=C(C=C(C=C1)OC)C1=C(C=C(C=C1)O[Si](C(C)C)(C(C)C)C(C)C)OCOC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC1=C(C=C(C=C1)OC)C1=C(C=C(C=C1)O)OCOC | 3 |
C(C)(=O)N(OC)C(C)=O.NCCO\N=C\C=1C(=C(C(=C(C(=O)NOCCO)C1)NC1=C(C=C(C=C1)I)F)F)F>>C(C)(=O)NCCO\N=C\C=1C(=C(C(=C(C(=O)NOCCO)C1)NC1=C(C=C(C=C1)I)F)F)F | 5 |
O[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][N:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][C:19]3[CH:24]=[CH:23][N:22]=[CH:21][CH:20]=3)=[CH:13][C:12]2=[O:25])=[CH:5][CH:4]=1.[NH:26]1[CH2:31][CH2:30][CH:29]([NH:32][C:33](=[O:35])[CH3:34])[CH2:28][CH2:27]1.C(N(CC)CC)C.CS(Cl)(=O)=O>>[O:25]=[C:12]1[CH:13]=[C:14]([O:17][C... | 1 |
Br[CH2:2][CH2:3][OH:4].C(=O)([O-])[O-].[K+].[K+].[CH3:11][C:12]1([CH3:34])[CH2:21][C:20]2[C:15](=[C:16]3[CH2:25][C:24]([CH3:27])([CH3:26])[O:23][C:17]3=[C:18]([OH:22])[CH:19]=2)[C:14]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[N:13]1.O>CN(C)C=O>[CH3:11][C:12]1([CH3:34])[CH2:21][C:20]2[C:15](=[C:16]3[CH2:25][C:24]... | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([OH:14])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:15](=[O:18])([O-:17])[O-].[Cs+].[Cs+].[N:21]1[C:34]2[C:25](=CC=C3C=2N=CC=C3)[CH:24]=[CH:23][CH:22]=1.[CH2:35]([O:42][C:43]1[CH:70]=[CH:69][C:68](I)=[CH:67][C:44]=1[C:45]([NH:47][C:48]1[CH:60]=[C:59]([C:61]2[CH:66... | 1 |
CS(=O)(=O)Cl.COC(=O)C1=CC2=C(S1)C=CC(=C2)N>ClCCl.C(C)(C)N(C(C)C)CC>CS(=O)(=O)N(C1=CC2=C(SC(=C2)C(=O)OC)C=C1)S(=O)(=O)C | 3 |
C(#N)[C@H]1[C@@H](C1)[C@H](N[S@](=O)C(C)(C)C)C1=CC=CC=C1>C(C)OCC.CO[H].Cl>N[C@@H]([C@H]1[C@@H](C1)C#N)C1=CC=CC=C1 | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([NH:11][C:12]2[N:13]=[CH:14][C:15]3[CH2:21][C:20](=[O:22])[NH:19][C:18]4[CH:23]=[C:24]([C:27]#[C:28][CH2:29][NH:30]C(=O)O)[CH:25]=[CH:26][C:17]=4[C:16]=3[N:34]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].Cl>>[NH2:30][CH2:29][C:28]#[C:27][C:24]1[CH:25]=[CH:26][C:17]2[C:16]3[N:34]=[C:12]([NH:11][C:... | 2 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1)C1C(NC(O1)=O)CC1=CC(=CC=C1)OC(C(F)F)(F)F>CCO[H].[OH-].[Na+]>NC(C(O)C1=CC(=CC=C1)OCC1=CC=CC=C1)CC1=CC(=CC=C1)OC(C(F)F)(F)F | 3 |
N1=CC(=CC=C1)S(=O)(=O)Cl.ClC=1C(=CNC1C=1C(=NC=CC1)F)C=O>C1CCCO1.[H-].[Na+].C1COCCOCCOCCOCCO1>ClC=1C(=CN(C1C=1C(=NC=CC1)F)S(=O)(=O)C=1C=NC=CC1)C=O | 3 |
N1=CC(=CC=C1)C=O.C(C)(=O)OCC1=CC=C(C=C1)NC1=NC(=CC=C1[N+](=O)[O-])Cl>O.CS(=O)C.S(=O)([O-])S(=O)[O-].[Na+].[Na+]>C(C)(=O)OCC1=CC=C(C=C1)N1C(=NC=2C1=NC(=CC2)Cl)C=2C=NC=CC2 | 3 |
Cl.C(C)N(CCCl)CC.ClC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)NCCC1=CC=C(C=C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)NCCC1=CC=C(C=C1)OCCN(CC)CC | 3 |
C(C=C)[Mg]Br.C(C)O[Si](C1=CC=C(C=C1)N(C1=CC=C(C=C1)[Si](OCC)(OCC)OCC)C1=CC=C(C=C1)[Si](OCC)(OCC)OCC)(OCC)OCC>C(C)OCC>C1(=CC=CC=C1)N(C1=CC=CC=C1)C1=CC=CC=C1.[SiH4] | 3 |
C1(=CC=CC=C1)[C@H]1CC[C@H](CC1)OC=1C=C2C=CC(=CC2=CC1)[C@]1(NC(OC1)=O)C>>N[C@](CO)(C)C1=CC2=CC=C(C=C2C=C1)O[C@@H]1CC[C@@H](CC1)C1=CC=CC=C1 | 5 |
C(N(CC)CC)C.[CH:8]1([C:14](Cl)=[O:15])[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1.[F:17][C:18]1[N:23]=[C:22]([N:24]2[CH2:29][CH2:28][N:27]([CH2:30][CH2:31][NH2:32])[CH2:26][CH2:25]2)[CH:21]=[CH:20][CH:19]=1.C(=O)([O-])[O-].[K+].[K+]>ClCCl>[F:17][C:18]1[N:23]=[C:22]([N:24]2[CH2:29][CH2:28][N:27]([CH2:30][CH2:31][NH:32][C:1... | 2 |
FC(C1=CC=CC(=N1)C(=O)O)(F)F.NC1=CC2=CN(N=C2C=C1C(=O)OC)C1CCOCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>O1CCC(CC1)N1N=C2C=C(C(=CC2=C1)NC(=O)C1=NC(=CC=C1)C(F)(F)F)C(=O)OC | 3 |
C(C)(C)(C)OC(N[C@@](CCC1=CC(=C(C=C1)O)N)(C)CO)=O.Cl.C(C)OC(CCCCC)=N>>C(C)(C)(C)OC(N[C@@](CCC=1C=CC2=C(N=C(O2)CCCCC)C1)(C)CO)=O | 5 |
C(C)OC(=O)C12NC(C3CC(CN3C(N(CCCCC=CC2C1)C)=O)O)=O.COC1=CC(=NC(=N1)C1=CC=CC=C1)O>>C(C)OC(=O)C12NC(C3CC(CN3C(N(CCCCCC=CC2C1)CC1=CC=C(C=C1)OC)=O)OC1=NC(=NC(=C1)OC)C1=CC=CC=C1)=O | 5 |
C([O:3][C:4]([C@@H:6]1[C@@H:11]2[C@H:7]1[CH2:8][C@@H:9]([OH:25])[C@@:10]2([N:22]=[N+]=[N-])[C:12]([O:14]CC1C=CC=CC=1)=[O:13])=[O:5])C>CC(O)=O.O.[Pd]>[NH2:22][C@@:10]1([C:12]([OH:14])=[O:13])[C@H:9]([OH:25])[CH2:8][C@@H:7]2[C@H:11]1[C@H:6]2[C:4]([OH:5])=[O:3] | 1 |
COC(C)(C)OC.F[C@@H]1[C@@H]2[C@H]3CCC(C=C3CC[C@H]2[C@@H]2CCC([C@@]2(C)C1)=O)=O>CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>F[C@@H]1[C@@H]2[C@H]3CCC(=CC3=CC[C@H]2[C@@H]2CCC([C@@]2(C)C1)=O)OC | 3 |
N1CC[C@H]([N:6]2[CH:10]=[C:9]([C:11]3[N:12]=[C:13]([OH:21])[C:14]4[CH:20]=[CH:19][N:18]=[CH:17][C:15]=4[N:16]=3)[CH:8]=[N:7]2)C1.CC[N:24]([CH:28]([CH3:30])C)[CH:25]([CH3:27])C.[Cl:31][CH2:32][C:33](Cl)=[O:34]>C1COCC1>[OH:21][C:13]1[C:14]2[CH:20]=[CH:19][N:18]=[CH:17][C:15]=2[N:16]=[C:11]([C:9]2[C:10]([C@H:30]3[CH2:27][... | 2 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CNC(=S)NC1=C(C=CC=C1)CC(N)=O>>C(C)(C)(C)OC(=O)N1CCC(CC1)CNC=1NC2=C(CC(N1)=O)C=CC=C2 | 5 |
[C:1]([O:8][C@H:9]1[CH2:13][C@@H:12]([O:14][Si:15]([C:18]([CH3:21])([CH3:20])[CH3:19])([CH3:17])[CH3:16])[C@H:11](/[CH:22]=[CH:23]/[C@@H:24]([O:37][Si:38]([CH2:43][CH3:44])([CH2:41][CH3:42])[CH2:39][CH3:40])[CH2:25][O:26][C:27]2[CH:32]=[CH:31][CH:30]=[C:29]([C:33]([F:36])([F:35])[F:34])[CH:28]=2)[C@H:10]1[CH2:45][CH:46... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][CH:8]=1)[NH2:5].[CH:9](=O)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>CO.C(O)(=O)C>[CH2:9]([NH:5][C:4]1[CH:6]=[CH:7][CH:8]=[C:2]([Br:1])[CH:3]=1)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 2 |
C(C)(C)(C)OC(C(CO)(C)C)=O.[N+](=O)([O-])C1=CC=C(C=C1)OC(=O)N1[C@@H](C[C@@H](C2=CC(=CC=C12)C(F)(F)F)NC1=NC=C(C=C1)N1CCOCC1)CC>>C(C)(C)(C)OC(=O)C(COC(=O)N1[C@@H](C[C@@H](C2=CC(=CC=C12)C(F)(F)F)NC1=NC=C(C=C1)N1CCOCC1)CC)(C)C | 5 |
C[Si](C)(C)C=[N+]=[N-].BrC=1C(=C(C(=O)O)C=CC1)N1C(=CC=C1C)C>>COC(C1=C(C(=CC=C1)Br)N1C(=CC=C1C)C)=O | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[CH:9][CH2:10][O:11][N:12]2C(=O)C3=CC=CC=C3C2=O)=[CH:4][CH:3]=1.ClCCl>C(CN)O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]=[CH:9][CH2:10][O:11][NH2:12])=[CH:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)O.ClC1=C(C#N)C=CN=C1>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC1=C(C#N)C=CN=C1 | 3 |
[C:1]([C:9]1[CH:17]=[CH:16][C:12]([C:13]([OH:15])=O)=[CH:11][CH:10]=1)(=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[NH2:25][CH2:26][C:27]1[C:28]([OH:35])=[N:29][C:30]([CH3:34])=[CH:31][C:32]=1[CH3:33]>ClCCl>[CH2:1]([C:9]1[CH:10]=[CH:11][C:12]([C:13]([NH:25][CH2:26][C:27]2[C:28]([OH:35])=[N:29][C:30]([CH3:34... | 1 |
[CH:1]1([CH2:4][O:5][C:6]2[N:11]=[C:10]([C:12]([OH:14])=O)[CH:9]=[CH:8][C:7]=2[N:15]2[CH2:18][C:17]([F:20])([F:19])[CH2:16]2)[CH2:3][CH2:2]1.[NH:21]1[CH2:25][CH2:24][CH2:23][C@H:22]1[CH2:26][OH:27]>>[CH:1]1([CH2:4][O:5][C:6]2[N:11]=[C:10]([C:12]([N:21]3[CH2:25][CH2:24][CH2:23][C@H:22]3[CH2:26][OH:27])=[O:14])[CH:9]=[CH... | 1 |
ClC1C=CC(NC([C:11]2[S:19][C:18]3[CH2:17][CH:16]([C:20]([OH:22])=O)[NH:15][CH2:14][C:13]=3[CH:12]=2)=O)=CC=1.[CH3:23][N:24]([N:26]=[C:27]1[CH:32]=[CH:31][C:30]([NH2:33])=[CH:29][CH2:28]1)[CH3:25].[CH2:34]([Cl:37])[CH2:35]Cl.[OH2:38]>CN(C=O)C>[CH3:25][N:24]([N:26]=[C:27]1[CH:28]=[CH:29][C:30]([NH:33][C:20]([CH:16]2[N:15]... | 1 |
C(C1=CC=CC=C1)OCCBr.OC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)O>>C(C1=CC=CC=C1)OCCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)O | 5 |
[Br-].SC1=C(C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C=CC=C1.Br.BrC(C(=O)C=1C=CC2=C(NC(CO2)=O)C1)C1=NC=CC=C1>>N1=C(C=CC=C1)C1SC2=CC=CC=C2C=C1C=1C=CC2=C(NC(CO2)=O)C1 | 5 |
FC1(CCC(CC1)C1=CC=C(C=N1)N)F.ClC=1C=C2C(=NC1)NC=C2C(=O)N=[N+]=[N-]>C1(=CC=CC=C1)C.CCN(CC)CC>ClC=1C=C2C(=NC1)NC=C2NC(NC=2C=NC(=CC2)C2CCC(CC2)(F)F)=O | 3 |
C1(=CC=C(C=C1)OC)Br.C(#C)[Si](C)(C)C>[Cu]I.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC1=CC=C(C=C1)C#C[Si](C)(C)C | 3 |
BrC=1C=C2C(=NC1)OC1(C2)CN2CCC1CC2.C(CCC)C(=C(CCCC)CCCC)[SnH3]>>C(=C)C=1C=C2C(=NC1)OC1(C2)CN2CCC1CC2 | 5 |
C1(C(N)C)CCCCC1.O[CH2:11][CH2:12][NH:13][CH:14]([CH:16]1[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]1)[CH3:15].O=S(Cl)[Cl:24]>>[Cl-:24].[Cl:24][CH2:11][CH2:12][NH2+:13][CH:14]([CH:16]1[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]1)[CH3:15] | 1 |
CN[C@H]1CCC2=CC=CC=C12.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)NS(OC[C@H]1O[C@H]([C@@H]2OC(O[C@@H]21)(C)C)N2C1=NC=NC(=C1N=C2)Cl)(=O)=O>CCO[H].C(C)(C)N(C(C)C)CC>[C@@H]1(CCC2=CC=CC=C12)N(C1=C2N=CN(C2=NC=N1)[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)CO)C | 3 |
ClCC(=O)Cl.[Cl-].CS(=O)(=O)OC1=C(C=CC=C1)C1CC(=NO1)C=1N=C(SC1)C1CC[NH2+]CC1>ClCCl.CCN(CC)CC>CS(=O)(=O)OC1=C(C=CC=C1)C1CC(=NO1)C=1N=C(SC1)C1CCN(CC1)C(CCl)=O | 3 |
FC=1C=C(CCl)C=CC1.C(C1=CC=CC=C1)C1(CCC(CC1)O)N(C)C>>C(C1=CC=CC=C1)C1(CCC(CC1)OCC1=CC(=CC=C1)F)N(C)C | 5 |
[Br-].[OH:2][CH2:3][CH2:4][CH2:5][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CCCCCC.C([Li])CCC.[S:36]1[CH:40]=[CH:39][C:38]([CH:41]=O)=[CH:37]1>O1CCCC1>[S:36]1[CH:40]=[CH:39][C:38](/[CH:41]=[CH:5]/[CH2:4][CH2:3][OH:2])=[CH:37]1 | 1 |
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[C:8]3[N:9]([CH:24]=[C:25]([CH:27]=[CH:28][C:29]4[CH:38]=[CH:37][C:36]5[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=5)[N:30]=4)[N:26]=3)[C:10]([C:13]3[CH:14]=[CH:15][C:16](/[C:19](=[N:22]\[H])/[NH:20][NH2:21])=[N:17][CH:18]=3)=[CH:11][N:12]=2)[CH2:3][CH2:2]1.O.[C:40]([O-])(O)=O.[Na+]>C(O)=O>[N:... | 1 |
NC=1C(=CC=2CCCCC2C1)C=1N=C(C(=NC1CC)NC(CC)CC)CC>>ClC=1C(=CC=2CCCCC2C1)C=1N=C(C(=NC1CC)NC(CC)CC)CC | 5 |
C(C)(C)(C)C1=CC=C(CN2C(N(C(C2)CCCC2=CC(=C(OC(C(=O)O)(C)C)C=C2)C)C)=O)C=C1>>COC(C(C)(C)OC1=C(C=C(C=C1)CCCC1N(C(N(C1)CC1=CC=C(C=C1)C(C)(C)C)=O)C)C)=O | 5 |
[CH3:1][O:2][C:3](=[O:20])[C@@H:4]([C@H:6]([CH3:19])[C:7]1[C:15]2[C:10](=[CH:11][CH:12]=[C:13]([Cl:16])[CH:14]=2)[N:9]([CH2:17][CH3:18])[CH:8]=1)[NH2:5].[C:21]([O:25][C:26]([NH:28][C@@H:29]([C:37](O)=[O:38])[CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][N:32]=1)=[O:27])([CH3:24])([CH3:23])[CH3:22].C1(N=C=NC2CCCCC2)CCCCC... | 1 |
C(C1=CC=CC=C1)OC1CC(C1)(CO)CO>ClCCl.ClS(Cl)=O.CCN(CC)CC>C(C1=CC=CC=C1)OC1CC2(C1)COS(OC2)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([Cl:11])[CH:10]=1)[NH:7][C:6](=[O:12])[C:5]2([CH2:15][CH2:16][CH2:17][CH2:18]Cl)[CH2:13][CH3:14].[F:20][C:21]1[CH:26]=[CH:25][C:24]([N:27]2[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]2)=[CH:23][CH:22]=1>>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([Cl:11])[CH:10]=1)[NH:7][C:6](=[O:12]... | 1 |
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