smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C([O:3][C:4]([CH2:6][N:7]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][C:9](=[CH2:15])[C:8]1=[O:16])=[O:5])C.[C:17]([CH2:20]N1CCCCCC(=C)C1=O)(O)=[O:18].[S:31]1C=CC=C1CC(O)=O>>[C:4]([CH2:6][N:7]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH:9]([CH2:15][S:31][C:17](=[O:18])[CH3:20])[C:8]1=[O:16])([OH:3])=[O:5] | 1 |
C(C1=CC=CC=C1)(=O)OCC1=NOC(=N1)C=1N=NC(=CC1)N1CCC(CC1)(C1=CC=C(C=C1)C#C[Si](C)(C)C)C#N>C1CCCO1.CO[H].Cl.[OH-].[Na+]>C(#C)C1=CC=C(C=C1)C1(CCN(CC1)C=1N=NC(=CC1)C1=NC(=NO1)CO)C#N | 3 |
ICC(CO)O.O(C1=CC=CC=C1)CCCNC1=CC=C(C(=O)O)C=C1>O.C(C)OCC.[OH-].[Na+].CN(P(=O)(N(C)C)N(C)C)C>O(C1=CC=CC=C1)CCCNC1=CC=C(C(=O)OCC(CO)O)C=C1 | 3 |
C(CC(=O)OCC)(=O)OCC.C(CCC)[C@@]1(CS(C2=C([C@H](N1)C1=CC=CC=C1)C=C(C(=C2)C=O)OC)(=O)=O)CC>C1(=CC=CC=C1)C.N1CCCCC1>C(CCC)[C@@]1(CS(C2=C([C@H](N1)C1=CC=CC=C1)C=C(C(=C2)C=C(C(=O)OCC)C(=O)OCC)OC)(=O)=O)CC | 3 |
[ClH:1].[OH:2][C@H:3]([CH3:22])[C@H:4]([NH:14]C(=O)OC(C)(C)C)[C:5]1[CH:10]=[C:9]([F:11])[C:8]([F:12])=[C:7]([F:13])[CH:6]=1.CCCCCC>O1CCOCC1>[ClH:1].[NH2:14][C@H:4]([C:5]1[CH:6]=[C:7]([F:13])[C:8]([F:12])=[C:9]([F:11])[CH:10]=1)[C@H:3]([OH:2])[CH3:22] | 1 |
FC1=C(C=CC(=C1)F)C=1N=C2N(C1C=1N=NC(=CC1)NN)CCC2.[Si](C)(C)(C(C)(C)C)OCC(C=O)(C)C>ClCCl.C(C)(=O)O[IH]C1=C(C=CC=C1)[IH]OC(C)=O>[Si](C)(C)(C(C)(C)C)OCC(C)(C)C1=NN=C2N1N=C(C=C2)C2=C(N=C1N2CCC1)C1=C(C=C(C=C1)F)F | 3 |
BrC1=CC=C(CC2(CCN(CC2)C(=O)OC(C)(C)C)C(=O)OCC)C=C1>O.CO[H].[OH-].[Na+]>BrC1=CC=C(C=C1)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)O | 3 |
[CH2:1]([O:4][CH2:5][C:6]1[C:11]([C:12]#[N:13])=[C:10]([O:14][CH3:15])[N:9]=[C:8]([CH3:16])[CH:7]=1)[CH:2]=[CH2:3].[H-].[H-].[H-].[H-].[Li+].[Al+3]>CCOCC>[CH2:1]([O:4][CH2:5][C:6]1[CH:7]=[C:8]([CH3:16])[N:9]=[C:10]([O:14][CH3:15])[C:11]=1[CH2:12][NH2:13])[CH:2]=[CH2:3] | 2 |
Cl.NCC=1N(C(C2=CC=C(C=C2C1OCCCC)/C=C/C(=O)N)=O)CC(C)C>O.[OH-].[Na+]>NCC=1N(C(C2=CC=C(C=C2C1OCCCC)/C=C/C(=O)N)=O)CC(C)C | 3 |
Cl.CN.C1(=CC=CC=C1)N1C(=NC(=C1)CC(=O)O)NC(=O)C=1C=C2C=NN(C2=CC1)COCC[Si](C)(C)C>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>CNC(CC=1N=C(N(C1)C1=CC=CC=C1)NC(=O)C=1C=C2C=NN(C2=CC1)COCC[Si](C)(C)C)=O | 3 |
[Br:1][C:2]1[CH:10]=[C:6]([C:7]([OH:9])=O)[C:5]([OH:11])=[CH:4][CH:3]=1.[Cl:12][C:13]1[CH:14]=[C:15]([CH:17]=[C:18]([Cl:20])[CH:19]=1)[NH2:16]>>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:11])=[C:6]([CH:10]=1)[C:7]([NH:16][C:15]1[CH:14]=[C:13]([Cl:12])[CH:19]=[C:18]([Cl:20])[CH:17]=1)=[O:9] | 1 |
Br[C:2]1[CH:3]=[C:4]([CH3:18])[C:5]([C:8]2[CH2:17][CH2:16][C:11]3([O:15][CH2:14][CH2:13][O:12]3)[CH2:10][CH:9]=2)=[N:6][CH:7]=1.[C:19](=[NH:32])([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=CC... | 1 |
NC1=NC=C(C=C1)I.CC1=NC=CC(=C1)C1=CC=C(C=C1)CC(=O)O>>IC=1C=CC(=NC1)NC(CC1=CC=C(C=C1)C1=CC(=NC=C1)C)=O | 5 |
[Cl:1]C1N=CC=CN=1.[NH2:8][C:9]1[CH:23]=[CH:22][C:12]([O:13][C:14]2[CH:19]=[CH:18][N:17]=[C:16]([C:20]#[N:21])[CH:15]=2)=[CH:11][C:10]=1[F:24]>>[ClH:1].[NH2:8][C:9]1[CH:23]=[CH:22][C:12]([O:13][C:14]2[CH:19]=[CH:18][N:17]=[C:16]([C:20]#[N:21])[CH:15]=2)=[CH:11][C:10]=1[F:24] | 1 |
FC=1C=C(C=CC1)[C@@H]1[C@H](NC(O1)=O)C=1C=NC=C(C1)C#CC1(CCCCC1)O>ClCCl.C(C)N(CC)S(F)(F)F>FC1(CCCCC1)C#CC=1C=C(C=NC1)[C@H]1NC(O[C@@H]1C1=CC(=CC=C1)F)=O | 3 |
Cl[C:2]1[N:3]=[C:4]([N:11]2[CH2:16][CH2:15][N:14]([CH3:17])[CH2:13][CH2:12]2)[C:5]2[S:10][CH:9]=[CH:8][C:6]=2[N:7]=1.[CH3:18][O:19][C:20]1[CH:27]=[CH:26][C:23]([CH2:24][NH2:25])=[CH:22][CH:21]=1>N1C=CC=CC=1>[CH3:18][O:19][C:20]1[CH:27]=[CH:26][C:23]([CH2:24][NH:25][C:2]2[N:3]=[C:4]([N:11]3[CH2:16][CH2:15][N:14]([CH3:17... | 1 |
FC(F)(F)C(O)=O.[C:8]1([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH:13]=[CH:12][C:11]([CH:14]([NH:18]C(=O)OC(C)(C)C)[CH2:15][C:16]#[N:17])=[CH:10][CH:9]=1>ClCCl>[NH2:18][CH:14]([C:11]1[CH:12]=[CH:13][C:8]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)=[CH:9][CH:10]=1)[CH2:15][C:16]#[N:17] | 2 |
[CH:1]1([C:10]2[O:11][CH2:12][C:13](=[O:20])[C:14]=2[C:15]([O:17][CH2:18][CH3:19])=[O:16])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][NH:2]1.[NH:21]1[C:29]2[C:24](=[CH:25][CH:26]=[CH:27][N:28]=2)[C:23]([CH:30]=O)=[CH:22]1.N1CCC[C@H]1C(O)=O>C(O)C>[NH:21]1[C:29]2=[N:28][CH:27]=[CH:26][CH:25]=[C:24]2[C:23]([CH:30]=[C... | 1 |
CC1=NC(=C(C(=N1)C#N)C(F)(F)F)C(C(F)(F)F)(F)F>>CC1=NC(=C(C(=N1)C(=O)N)C(F)(F)F)C(C(F)(F)F)(F)F | 5 |
NC1=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=CC(=C1)S(=O)(=O)C>c1ccncc1.C(C)(=O)Cl>C(C)(=O)NC1=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=CC(=C1)S(=O)(=O)C | 3 |
BrC=1C=C(OC1C1=C(C=CC=C1)C)C=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C1(=CC=CC=C1)S.[Cu]>CC1=C(C=CC=C1)C1=C(C=C(O1)C=O)SC1=CC=CC=C1 | 3 |
COC=1C=C(C=CC1)S(=O)(=O)Cl.Cl.CC1=C(C=C(C=C1)C)N1CCN(CC1)C(=O)C1N(CCNC1)C1=C(C=C(C=C1)F)C>>CC1=C(C=C(C=C1)C)N1CCN(CC1)C(=O)C1N(CCN(C1)S(=O)(=O)C1=CC(=CC=C1)OC)C1=C(C=C(C=C1)F)C | 5 |
CNS(=O)(=O)C1=CC(=C(C=C1)OC1=CC=C(C=C1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C>O.C1CCCO1.Cl.I(=O)(=O)(=O)[O-].[Na+]>CNS(=O)(=O)C=1C=CC(=C(C1)B(O)O)OC1=CC=C(C=C1)C(F)(F)F | 3 |
C(C)I.ClC1=CC(=C(C=C1)C1CN(CCC1)C(=O)C=1C=NNC1)C(F)(F)F>C1CCCO1.[H-].[Na+]>ClC1=CC(=C(C=C1)C1CN(CCC1)C(=O)C=1C=NN(C1)CC)C(F)(F)F | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([N:9]2[CH2:14][CH2:13][N:12]([CH2:15][C:16]3[CH:21]=[CH:20][C:19]([N+:22]([O-])=O)=[CH:18][CH:17]=3)[CH2:11][CH2:10]2)[CH:6]=[CH:7][CH:8]=1>[Cl-].[Cl-].[Cl-].[Ti+3]>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([N:9]2[CH2:10][CH2:11][N:12]([CH2:15][C:16]3[CH:17]=[CH:18][C:19]([NH2:22])=[CH:20][CH:21]=3)... | 1 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH2:7][C@H:6]([NH:11][S:12]([CH:15]([CH3:17])[CH3:16])(=[O:14])=[O:13])[CH2:5]2.[CH3:18][C:19]1[C:24]([CH2:25]O)=[CH:23][CH:22]=[C:21]([CH3:27])[N:20]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C.[Cl:61]CCl>>[ClH:61].[CH3:18][C:19]1[C:24]([CH2:25]... | 1 |
[CH:1]1[C:11]2[C:10]3[CH:12]=[CH:13][CH:14]=[CH:15][C:9]=3[CH2:8][N:7]([C:16]#[N:17])[CH2:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.[OH:18][CH:19]([CH3:26])[CH2:20][O:21][N:22]=[C:23]([CH3:25])[CH3:24]>>[CH:1]1[C:11]2[C:10]3[CH:12]=[CH:13][CH:14]=[CH:15][C:9]=3[CH2:8][N:7]([C:16](=[NH:17])[O:18][CH:19]([CH3:26])[CH2:20][O:21][N:2... | 1 |
Cl.[NH:2]1[CH2:7][CH2:6][CH:5]([C:8]2[C:16]3[C:11](=[C:12]([C:22]([NH2:24])=[O:23])[CH:13]=[C:14]([C:17]4[S:18][CH:19]=[CH:20][CH:21]=4)[CH:15]=3)[NH:10][N:9]=2)[CH2:4][CH2:3]1.[CH2:25]([S:27](Cl)(=[O:29])=[O:28])[CH3:26].C(N(CC)CC)C>C(Cl)Cl>[CH2:25]([S:27]([N:2]1[CH2:7][CH2:6][CH:5]([C:8]2[C:16]3[C:11](=[C:12]([C:22](... | 1 |
OC1=NC(=CC=C1)Br.O[C@@H]1C[C@H](CCC1)NC(OC(C)(C)C)=O>>BrC1=CC=CC(=N1)O[C@H]1C[C@H](CCC1)NC(OC(C)(C)C)=O | 5 |
IC1=CC=CC=C1.C(C=C)(=O)OC>C1(=CC=CC=C1)C.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].C(CC)N(CCC)CCC>C(\C=C\C1=CC=CC=C1)(=O)OC | 3 |
C[O:2][C:3]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][CH:9]=[C:8]2[CH:14]1[CH2:19][CH2:18][N:17]([CH2:20][CH2:21][N:22]2[C:31](=[O:32])[C:30]3[CH:33]=[CH:34][CH:35]=[C:28]4[C:29]=3[C:24](=[CH:25][CH:26]=[CH:27]4)[C:23]2=[O:36])[CH2:16][CH2:15]1)=[O:4]>[OH-].[K+]>[C:3]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]... | 1 |
ClC1=C(C=C(C(=C1)[N+](=O)[O-])F)Cl.C(C)(C)(C)OC(=O)N1CC(NCC1)CC(=O)O>N(C)(C)C=O.O.CCN(CC)CC>C(C)(C)(C)OC(=O)N1CC(N(CC1)C1=C(C=C(C(=C1)Cl)Cl)[N+](=O)[O-])CC(=O)O | 3 |
C(#N)C=1C=C(C(=O)OC)C=C(C1OC)I>O.C1CCCO1.O[Li].O>C(#N)C=1C=C(C(=O)O)C=C(C1OC)I | 3 |
ClC1=CC(=C(C=C1)N(S(=O)(=O)C1=CC(=C(C=C1)OC)OC)CCOC1OCCCC1)C(O)C1=C(C=CC=C1)Cl>>ClC1=CC(=C(C=C1)N(S(=O)(=O)C1=CC(=C(C=C1)OC)OC)CCO)C(O)C1=C(C=CC=C1)Cl | 5 |
C([O:7][C:8]1[CH:13]=[C:12]([CH2:14][CH2:15]OS(C)(=O)=O)[O:11][C:10](=[O:21])[C:9]=1[C:22]1[C:27]([CH3:28])=[CH:26][C:25]([CH3:29])=[CH:24][C:23]=1[CH3:30])(=O)C(C)(C)C.[F:31][C:32]1[CH:33]=[C:34]([SH:38])[CH:35]=[CH:36][CH:37]=1.C([O-])([O-])=O.[K+].[K+]>O1CCCC1>[F:31][C:32]1[CH:33]=[C:34]([S:38][CH2:15][CH2:14][C:12]... | 2 |
ClC1=NC=2N(C(=C1)N(C(OC(C)(C)C)=O)C)N=CC2C(N[C@@H](COCC2=C(C=C(C(=C2)[N+](=O)[O-])OC)F)C)=O>O.[Fe].CCO[H].[Cl-].[NH4+]>NC=1C(=CC(=C(COC[C@@H](C)NC(=O)C=2C=NN3C2N=C(C=C3N(C(OC(C)(C)C)=O)C)Cl)C1)F)OC | 3 |
NC1=CC=C(C=C1)CC(=O)N.C1(CC(C(CC1)C(C)C)C(=O)O)C>>NC(CC1=CC=C(C=C1)NC(=O)C1[C@@H](CC[C@H](C1)C)C(C)C)=O | 5 |
[NH2:1][C@:2]([CH3:13])([CH2:5][CH2:6][C:7]1[N:8]([CH3:12])[CH:9]=[CH:10][CH:11]=1)[CH2:3][OH:4].[OH-:14].[Na+].C(N([CH2:21][CH3:22])CC)C.[C:23](OC(=O)C)(=[O:25])[CH3:24]>CN(C)C1C=CN=CC=1.CO.O.ClCCl>[C:23]([O:4][CH2:3][C@@:2]([NH:1][C:21](=[O:14])[CH3:22])([CH3:13])[CH2:5][CH2:6][C:7]1[N:8]([CH3:12])[CH:9]=[CH:10][CH:1... | 2 |
[N:1]1([CH2:14][CH2:15][O:16][CH2:17][CH2:18][NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23])[C:13]2[C:12]3[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=3[N:6]=[CH:5][C:4]=2[N:3]=[CH:2]1.C1C=C(Cl)C=C(C(OO)=[O:35])C=1.C([O-])(O)=O.[Na+]>C(Cl)Cl>[O-:35][N+:6]1[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:12]=2[C:13]2[N:1]([CH2... | 1 |
[Br:1][Si](C)(C)C.[Cl:6][C:7]1[CH:12]=[C:11]([O:13][CH:14]([F:16])[F:15])[CH:10]=[C:9](Cl)[N:8]=1>C(#N)C>[Br:1][C:9]1[CH:10]=[C:11]([O:13][CH:14]([F:16])[F:15])[CH:12]=[C:7]([Cl:6])[N:8]=1 | 2 |
Cl.[CH3:2][C:3]1[CH:4]=[CH:5][C:6]([O:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([CH:16]=[C:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)[CH:11]=2)=[N:7][CH:8]=1.[N:23]1[CH:28]=[CH:27][CH:26]=[C:25]([NH:29][C:30](=O)[O:31]C2C=CC=CC=2)[N:24]=1.C(N(CC)CC)C>C(#N)C>[CH3:2][C:3]1[CH:4]=[CH:5][C:6]([O:9][C:10]2[CH:11]=[C:12]([CH... | 1 |
NC1=NC=CC=N1.BrCC(=O)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C=1N=C2N(C=CC=N2)C1 | 5 |
[NH2:1][C:2]1[C:11]2[N:10]=[CH:9][C:8]([CH2:12][CH2:13][C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][CH:15]=3)=[CH:7][C:6]=2[C:5]2[CH:21]=[CH:22][C:23]([CH3:25])=[CH:24][C:4]=2[N:3]=1.Br[CH2:27][C:28]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)=[O:29]>>[NH2:1][C:2]1[C:11]2[N:10]=[CH:9][C:8]([CH2:12][CH2:13][C:14]3[... | 1 |
[C:1]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])(=[O:4])[NH:2][NH2:3].Br[C:11]1[CH:12]=[CH:13][C:14]([C:17]([N:19]([CH3:21])[CH3:20])=[O:18])=[N:15][CH:16]=1.CC(C)([O-])C.[Na+].C1(P(C2C=CC=CC=2)C2C3OC4C(=CC=CC=4P(C4C=CC=CC=4)C4C=CC=CC=4)C(C)(C)C=3C=CC=2)C=CC=CC=1>C1(C)C=CC=CC=1.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH3:20][N:19]([CH... | 2 |
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.NC[C@@H]1CC(=NO1)C1=CC=C(C=N1)C1=C(C=C(C=C1)N1C(O[C@H](C1)CN1N=NC=C1)=O)F>>FC1=C(C=CC(=C1)N1C(O[C@H](C1)CN1N=NC=C1)=O)C=1C=CC(=NC1)C1=NO[C@@H](C1)CNC([C@H](C)NC(OC(C)(C)C)=O)=O | 5 |
[Cl:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([Cl:10])[C:3]=1[CH:4]=[O:5].[C-:11]#[N:12].[K+]>C(O)(=O)C.O>[Cl:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([Cl:10])[C:3]=1[CH:4]([OH:5])[C:11]#[N:12] | 1 |
C(CC(=O)OC)(=O)OC.BrCCCCBr>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].F[B-](F)(F)F.C(CCC)[N+]1=CN(C=C1)C>C1(CCCC1)(C(=O)OC)C(=O)OC | 3 |
FC(CN)(F)F.BrCCN1N=C(C=C1CBr)[N+](=O)[O-]>>[N+](=O)([O-])C1=NN2C(CN(CC2)CC(F)(F)F)=C1 | 5 |
ClC1=C(C=CC=C1)CS(=O)(=O)Cl.CC1=C(C2=C(N=C(C=C2N)C)S1)C1=CC(=CC=C1)OC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC1=C(C=CC=C1)CS(=O)(=O)NC1=C2C(=NC(=C1)C)SC(=C2C2=CC(=CC=C2)OC)C | 3 |
CC1=C(SC=C1)C(=O)Cl.[I-].C(CCC)[N+]1=C(SC(=C1C)C)C>>C(CCC)N1/C(/SC(=C1C)C)=C/C(=O)C=1SC=CC1C | 5 |
COC(CCC(=O)C1=C(C=C(C=C1)OC1OCCCC1)O)=O>>COC(CCC(C1=C(C=C(C=C1)OC1OCCCC1)OS(=O)(=O)C(F)(F)F)=O)=O | 5 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O.O[CH2:33][C:34]1[CH:39]=[C:38]([CH2:40][OH:41])[CH:37]=[C:36]([CH2:42][OH:43])[CH:35]=1.[C:44]([OH:47])(=[S:46])[CH3:45]>C1COCC1>[C:44]([S:46][CH2:33][C:34]1[CH:39]=[C:38]([CH2:40][OH:41])[CH:37]=[C:36]([CH2:42][OH:43])[CH:35]=1)(=[O:47])[CH3:45] | 1 |
C(C)(C)(C)OC(=O)NC1CCN(CC1)C1=CN=CC(=N1)C1=CN(C2=CC=C(C=C12)[N+](=O)[O-])C(=O)OC(C)(C)C>>NC=1C=C2C(=CN(C2=CC1)C(=O)OC(C)(C)C)C1=NC(=CN=C1)N1CCC(CC1)NC(=O)OC(C)(C)C | 5 |
[N:1]1([CH2:6][C:7]2[S:11][C:10]([NH2:12])=[N:9][CH:8]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[ClH:13]>CO>[N:1]1([CH2:6][C:7]2[S:11][C:10]([NH2:12])=[N:9][CH:8]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:13].[N:1]1([CH2:6][C:7]2[S:11][C:10]([NH2:12])=[N:9][CH:8]=2)[CH2:2][CH2:3][CH2:4][CH2:5]1 | 2 |
C(C)(OC)(OC)OC.NC1=C(C=C(C=C1)Br)NC1=NC(=NC=C1)N>C1CCCO1.CO[H].C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC=1C=CC2=C(N(C(=N2)C)C2=NC(=NC=C2)N)C1 | 3 |
[CH3:1][O:2][C:3](=[O:12])[C:4]1[CH:9]=[CH:8][C:7]([Br:10])=[CH:6][C:5]=1[CH3:11].[Br:13]N1C(=O)CCC1=O>C(#N)C.S(=O)(O)[O-].[Na+].CCOCC.CC(N=NC(C#N)(C)C)(C#N)C>[CH3:1][O:2][C:3](=[O:12])[C:4]1[CH:9]=[CH:8][C:7]([Br:10])=[CH:6][C:5]=1[CH2:11][Br:13] | 1 |
ClC1=NC=CC2=C(C(=CC=C12)C)[N+](=O)[O-]>>CC=1C(=C2C=CNC(C2=CC1)=O)[N+](=O)[O-] | 5 |
FC=1C=NC(=NC1)NC(=S)N.BrC1C(C2=C(N(CC1)CCN1CCOCC1)N(N=C2)CC2=CC=C(C=C2)OC)=O>CCO[H].C(C)(=O)OCC.CC(=O)C>FC=1C=NC(=NC1)NC=1SC2=C(C3=C(N(CC2)CCN2CCOCC2)N(N=C3)CC3=CC=C(C=C3)OC)N1 | 3 |
CI.BrC=1C=C2C(=NC1)NN=C2>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C=C2C(=NC1)N(N=C2)C | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]2[C:12]3[CH:19]=[CH:18][NH:17][C:13]=3[N:14]=[CH:15][CH:16]=2)=[CH:6][CH:5]=1)([O-])=O.[H][H]>C(O)C.[Pd]>[NH:17]1[C:13]2=[N:14][CH:15]=[CH:16][C:11]([NH:10][C:7]3[CH:8]=[CH:9][C:4]([NH2:1])=[CH:5][CH:6]=3)=[C:12]2[CH:19]=[CH:18]1 | 1 |
C[O:2][C:3]([C:5]1([C:9]2[CH:14]=[CH:13][C:12]([NH:15][C:16]3[N:21]=[C:20]([C:22]([CH3:25])([CH3:24])[CH3:23])[CH:19]=[C:18]([NH:26][C:27]([CH3:30])([CH3:29])[CH3:28])[N:17]=3)=[CH:11][CH:10]=2)[CH2:8][CH2:7][CH2:6]1)=[O:4].[OH-].[Na+]>CO.O>[C:22]([C:20]1[CH:19]=[C:18]([NH:26][C:27]([CH3:30])([CH3:28])[CH3:29])[N:17]=[... | 2 |
CI.FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)O[C@@H]1[C@H]([C@@H](N(C1)C(=O)OC(C)(C)C)CC(C(=O)OC)C)C1=CC=C(C=C1)F)(F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H](C)O[C@@H]1[C@H]([C@@H](N(C1)C(=O)OC(C)(C)C)CC(C(=O)OC)(C)C)C1=CC=C(C=C1)F)(F)F | 3 |
[CH3:1][N:2]([CH3:25])[S:3]([N:6]1[C:10]([CH:11]([OH:17])[C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)=[CH:9][N:8]=[C:7]1[Si](C(C)(C)C)(C)C)(=[O:5])=[O:4].C([Mg]Br)=C>C1COCC1.[Cu]I>[CH3:1][N:2]([CH3:25])[S:3]([N:6]1[C:10]([CH:11]([OH:17])[C:12]2[S:13][CH:14]=[CH:15][CH:16]=2)=[CH:9][N:8]=[CH:7]1)(=[O:5])=[O:4] | 1 |
ClCCCOC1=CC(=C(C=C1OC)C(\C=C\N(C)C)=O)[N+](=O)[O-]>[Fe].C(C)(=O)O>ClCCCOC1=C(C=C2C(C=CNC2=C1)=O)OC | 3 |
BrC1=CN2C(S1)=C(C=N2)C(=O)NC=2C(=NC=C(C(=O)OCC)C2)C>CCO[H].[OH-].[Na+]>BrC1=CN2C(S1)=C(C=N2)C(=O)NC=2C(=NC=C(C(=O)O)C2)C | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([NH2:8])=[C:4]([Cl:9])[CH:3]=1.N1C=CC=CC=1.[Cl:16][CH2:17][CH2:18][C:19](Cl)=[O:20]>C(Cl)Cl>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:19](=[O:20])[CH2:18][CH2:17][Cl:16])=[C:4]([Cl:9])[CH:3]=1 | 1 |
[C:1]([C:4]1[C:9]([OH:10])=[CH:8][C:7](OS(C(F)(F)F)(=O)=O)=[CH:6][C:5]=1[OH:19])(=[O:3])[CH3:2].[NH:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1.C1(C2C=CC=CC=2)C=CC=CC=1P(C(C)(C)C)C(C)(C)C.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>C1COCC1.[Pd].[Pd].C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C... | 1 |
[CH3:1][C:2]1[C:7]([CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[C:6]([CH3:15])[NH:5][C:4](=[O:16])[CH:3]=1.[Br:17]Br.N#N>C(O)(=O)C>[CH3:1][C:2]1[C:7]([CH2:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[C:6]([CH3:15])[NH:5][C:4](=[O:16])[C:3]=1[Br:17] | 1 |
N1=C(N=CC=C1)N1CCNCC1.C(C)N1C(=NC(=C1)C1=CC(=C(C=C1)F)C)CC(=O)O>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC>C(C)N1C(=NC(=C1)C1=CC(=C(C=C1)F)C)CC(=O)N1CCN(CC1)C1=NC=CC=N1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.FC=1C=CC(=C2CCC(N(C12)CC1=CC=C(C=C1)OC)=O)OC[C@]12CCN(C[C@@H]2O1)C(=O)OC(C)(C)C>C(=O)(C(F)(F)F)O.[OH-].[Na+].C1(=CC=CC=C1)OC>FC=1C=CC(=C2CCC(NC12)=O)OC[C@@]1([C@@H](CN(CC1)C(=O)OC(C)(C)C)O)O | 3 |
C(C)OC(C(C)(N1CCCC1)C)=O>>CC(CO)(C)N1CCCC1 | 5 |
C(=O)(OC)C1=C(C=CC=C1)C1=CC=C(C=C1)CN1C(=NC(=C1C=O)Cl)C(CCC)Br>C1CCCO1.C(C)OCC.C1CCC2=NCCCN2CC1>C(=O)(OC)C1=C(C=CC=C1)C1=CC=C(C=C1)CN1C(=NC(=C1C=O)Cl)\C=C\CC | 3 |
C(C)NCC1=CC=CC=C1.C1(CC1)C(=O)NC=1SC2=C(C1C(=O)NCC1CC1)C[C@H](CC2)N=C=S>>C(C1=CC=CC=C1)N(C(=S)N[C@H]1CCC2=C(C(=C(S2)NC(=O)C2CC2)C(=O)NCC2CC2)C1)CC | 5 |
NC1=NC(=CN=C1)Cl.O1C(CCCC1)OCCO>O.O1CCOCC1.[H-].[Na+]>O1C(CCCC1)OCCOC1=CN=CC(=N1)N | 3 |
C(C)N(C1=NC=C(C(=O)OC)C=C1)C1=CC(=C(C=C1)OCC(C)C)C(C)C>O.CO[H].[OH-].[K+]>C(C)N(C1=NC=C(C(=O)O)C=C1)C1=CC(=C(C=C1)OCC(C)C)C(C)C | 3 |
C(C)(C)(C)OC(=O)N[C@@H]1CN(C[C@H]1C(F)F)C(=O)OCC1=CC=CC=C1>[HH].C(C)(=O)OCC.[Pd]>FC([C@H]1[C@@H](CNC1)NC(OC(C)(C)C)=O)F | 3 |
C(C=C)[Mg]Br.C(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C>C1CCCO1.[Cl-].[NH4+]>OC(C=C)C1(CCN(CC1)C(=O)OC(C)(C)C)CC=C | 3 |
ClC=1C=C(OCC2CN(CC2)C(=O)OC(C)(C)C)C=C(C1)[N+](=O)[O-]>O.CO[H].[Fe].[Cl-].[NH4+]>NC=1C=C(OCC2CN(CC2)C(=O)OC(C)(C)C)C=C(C1)Cl | 3 |
N.[CH3:2][O:3][C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][C:13]=1[O:14][CH2:15][CH2:16][N:17]1[CH:21]=[CH:20][N:19]=[N:18]1)[N:10]=[CH:9][N:8](COC(=O)C(C)(C)C)[C:7]2=O>CO>[CH3:2][O:3][C:4]1[CH:5]=[C:6]2[C:11](=[CH:12][C:13]=1[O:14][CH2:15][CH2:16][N:17]1[CH:21]=[CH:20][N:19]=[N:18]1)[N:10]=[CH:9][N:8]=[CH:7]2 | 1 |
Cl.N[N:3]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:5][CH2:4]1.[O:12]=[C:13]1[CH2:18][C:17](=O)[CH2:16][CH2:15][NH:14]1>C(O)C>[CH:9]1[CH:8]=[CH:7][C:6]2[CH2:5][CH2:4][N:3]3[C:11]=2[C:10]=1[C:18]1[C:13](=[O:12])[NH:14][CH2:15][CH2:16][C:17]=13 | 1 |
CS([O:5][CH2:6][CH2:7][C@H:8]([F:13])[CH2:9][CH2:10][CH2:11][CH3:12])(=O)=O.O[C@@H](CCCC)CC(OC)=O.[CH2:25]([O:31][C:32]1[CH:33]=[N:34][C:35]([C:38]2[CH:43]=[CH:42][C:41](O)=[C:40](F)[CH:39]=2)=[N:36][CH:37]=1)[CH2:26][CH2:27][CH2:28][CH2:29][CH3:30]>>[CH2:25]([O:31][C:32]1[CH:33]=[N:34][C:35]([C:38]2[CH:43]=[CH:42][C:4... | 1 |
NC1=NC(=C(C(=N1)C#N)C1=CC(=NC(=C1)C(F)(F)F)C)C1=CC=CC=C1>CO[H].[HH].N.[Ni]>NCC1=NC(=NC(=C1C1=CC(=NC(=C1)C(F)(F)F)C)C1=CC=CC=C1)N | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=CC=C(C=C1)CN(C1=C(C=C2C(=N1)C=CN2)C)CC2=CC=C(C=C2)OC>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>COC1=CC=C(C=C1)CN(C1=C(C=C2C(=N1)C=CN2C(=O)OC(C)(C)C)C)CC2=CC=C(C=C2)OC | 3 |
ClC=1C=CC2=C([C@H](S[C@@H](C=3N2C(=NN3)C3CC3)CCC=3SC(=CN3)CCC(=O)OC)C3=C(C(=CC=C3)OC)OC)C1>O.C1CCCO1.CO[H].O[Li].O>ClC=1C=CC2=C([C@H](S[C@@H](C=3N2C(=NN3)C3CC3)CCC=3SC(=CN3)CCC(=O)O)C3=C(C(=CC=C3)OC)OC)C1 | 3 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]2[C:8](=[O:17])[NH:9][C:10]3[C:15]([CH:16]=2)=[CH:14][CH:13]=[CH:12][CH:11]=3)=[CH:3][CH:2]=1.C(O)C.[ClH:21]>[Pt](=O)=O>[ClH:21].[NH:1]1[CH2:2][CH2:3][CH:4]([CH:7]2[CH2:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[NH:9][C:8]2=[O:17])[CH2:5][CH2:6]1 | 1 |
[Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>C(CC)C1CC2CCC(CC2CC1)=O | 5 |
CS(=O)(=O)Cl.C1(=CC=CC=C1)C1(S)C[C@@H](O)[C@@H](OC(C2=CC=CC=C2)=O)CO1>>C1(=CC=CC=C1)[C@@]1(S)C[C@@H](OS(=O)(=O)C)[C@@H](OC(C2=CC=CC=C2)=O)CO1 | 5 |
[OH:1][C:2]1[CH:9]=[CH:8][C:7]([O:10][C:11]([F:14])([F:13])[F:12])=[CH:6][C:3]=1[CH:4]=[O:5].C1C(=O)N([I:22])C(=O)C1>CN(C=O)C>[OH:1][C:2]1[C:9]([I:22])=[CH:8][C:7]([O:10][C:11]([F:12])([F:13])[F:14])=[CH:6][C:3]=1[CH:4]=[O:5] | 2 |
BrCCCO.C(C)OC(=O)N1C(C2=CC(=C(C=C2C=C1)O)OC)CC1=CC(=CC=C1)OCC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC(=O)N1C(C2=CC(=C(C=C2C=C1)OCCCO)OC)CC1=CC(=CC=C1)OCC | 3 |
ClC=1C=C2CCNC2=CC1.FC1=CC=C(CNC2=NC=CN=C2C(=O)O)C=C1>>ClC=1C=C2CCN(C2=CC1)C(=O)C=1C(=NC=CN1)NCC1=CC=C(C=C1)F | 5 |
FC1=CC=C(C=C1)C1CCC2(OCCO2)CC1>>FC1=CC=C(C=C1)C1CCC(CC1)=O | 5 |
[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][C:9]([OH:11])=O)[CH:5]=[CH:4][N:3]=1.ON1C2C=CC=CC=2N=N1.[NH:22]1[CH2:27][CH2:26][O:25][CH2:24][CH2:23]1.Cl.C(N=C=NCCCN(C)C)C>CN(C)C=O.O.C(N(CC)CC)C>[Cl:1][C:2]1[CH:7]=[C:6]([CH2:8][C:9]([N:22]2[CH2:27][CH2:26][O:25][CH2:24][CH2:23]2)=[O:11])[CH:5]=[CH:4][N:3]=1 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][NH:10][C:11](=[O:21])[C@@H:12]([NH:16][S:17]([CH3:20])(=[O:19])=[O:18])[CH:13]([CH3:15])[CH3:14])=[CH:4][C:3]=1[O:22][CH3:23].[C:24]1([C:30]#[C:31][CH2:32]OS(C2C=CC(C)=CC=2)(=O)=O)[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C[O-].[Na+].[I-].[K+].[Cl-].[Na+]>CO>[CH3:23][O:22][C:... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[CH2:9][C:10]([N:12]1[CH2:17][CH2:16][CH:15]([C:18]2[C:23]([CH2:24]O)=[CH:22][N:21]=[C:20]([CH3:26])[N:19]=2)[CH2:14][CH2:13]1)=[O:11].CCN(CC)CC.S([Cl:44])(C1C=CC(C)=CC=1)(=O)=O.[NH4+].[Cl-]>C(Cl)Cl>[Cl:44][CH2:24][C:23]1[C:18]([CH:15]2[CH2:16][CH2:17][N:12]([C:10](=[O:... | 2 |
O1C(C1)C1=CC=NC=C1.CN1CC2=C(NC=3C=CC(=CC23)C(C)(C)O)CC1>N(C)(C)C=O.[H-].[Na+]>OC(CN1C2=C(C=3C=C(C=CC13)C(C)(C)O)CN(CC2)C)C2=CC=NC=C2 | 3 |
C(=O)(OC(C)(C)C)NC(=NC(=O)OC(C)(C)C)N1N=CC=C1.FC(C(=O)O)(F)F.C1(CCCC1)N1C(=NN=C1C1=CC=C(C=C1)C=1CCNCC1)C1=CC=C(C=C1)C=1CCNCC1>N(C)(C)C=O.ClCCl.C(=O)(C(F)(F)F)O.CCN(CC)CC.C1(=CC=CC=C1)OC>FC(C(=O)O)(F)F.C(N)(=N)N1CCC(=CC1)C1=CC=C(C=C1)C=1N(C(=NN1)C1=CC=C(C=C1)C=1CCN(CC1)C(N)=N)C1CCCC1 | 3 |
[Cl:1][C:2]1[C:11]2[N:10]=[C:9]([C:12]3[N:16]([C:17]4[C:22]([Cl:23])=[CH:21][CH:20]=[CH:19][N:18]=4)[N:15]=[C:14]([Cl:24])[CH:13]=3)[O:8][C:7](=[O:25])[C:6]=2[CH:5]=[C:4](I)[CH:3]=1.[Cu][C:28]#[N:29]>O1CCCC1.C(OCC)(=O)C.[Cu]I>[Cl:1][C:2]1[C:11]2[N:10]=[C:9]([C:12]3[N:16]([C:17]4[C:22]([Cl:23])=[CH:21][CH:20]=[CH:19][N:... | 1 |
C1=C2C3=C(CSC2=CC(=C1)O)C=C(C=C3)O>O.CO[H].I(=O)(=O)(=O)[O-].[Na+]>OC1=CC=C2C3=C(CS(C2=C1)=O)C=C(C=C3)O | 3 |
C(C)(C)(C)C1=CC=C(S1)C(=O)O>>C(C)(C)(C)C1=CC=C(S1)CO | 5 |
N[C@H]1C[C@H](CCC1)NC(OCC1=CC=CC=C1)=O.ClC1=NC=C(C(=N1)C1=CNC2=CC=CC=C12)C(F)(F)F>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)OC(N[C@@H]1C[C@@H](CCC1)NC1=NC=C(C(=N1)C1=CNC2=CC=CC=C12)C(F)(F)F)=O | 3 |
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