smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC1(C=2C=CC(=NC2C(C(N1)=O)(CC=1N=NN(C1)C[Si](C)(C)C)C)C#N)C>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>CC1(C=2C=CC(=NC2C(C(N1)=O)(CC=1N=NN(C1)C)C)C#N)C | 3 |
CC1(COC1)OC1=NC=C(C=C1)[N+](=O)[O-]>CCO[H].[HH].[Pd]>CC1(COC1)OC1=CC=C(C=N1)N | 3 |
C[Si](C)(C)C#C.BrC1=CC=C(C=C1)C(C)N1C(O[C@](CC1)(C1=CC=CC=C1)CC(C)(C)O)=O>>OC(C[C@@]1(CCN(C(O1)=O)[C@@H](C)C1=CC=C(C=C1)C#C[Si](C)(C)C)C1=CC=CC=C1)(C)C | 5 |
BrCC(C(=O)OCC)=O.O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(COC2=NN(C=C2/C=C/C(N)=S)C2=CC=CC=C2)C=C1)OC)C>CCO[H]>O1C(=CC=C1)C=1OC(=C(N1)COC1=C(C=C(COC2=NN(C=C2/C=C/C=2SC=C(N2)C(=O)OCC)C2=CC=CC=C2)C=C1)OC)C | 3 |
ClC1=NC=CC=2C(=C(C=CC12)C)O>>OC1=C2CCNCC2=CC=C1C | 5 |
Cl[C:2]1[N:11]=[C:10]2[C:5]([C:6](=[O:20])[C:7]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[CH:8][N:9]2[CH:12]2[CH2:14][CH2:13]2)=[CH:4][C:3]=1[F:21].[C:22]([NH:25][CH:26]1[CH2:30][CH2:29][NH:28][CH2:27]1)(=[O:24])[CH3:23].C(=O)(O)[O-].[Na+]>C(#N)C>[C:22]([NH:25][CH:26]1[CH2:30][CH2:29][N:28]([C:2]2[N:11]=[C:10]3[C:5]([C:6... | 1 |
OCC1=C(N=NS1)C(=O)OC>>C(C)(C)[Si](OCC1=C(N=NS1)C(=O)OC)(C(C)C)C(C)C | 5 |
CS(=O)(=O)OC=1C=C(C=C(C1)OC)C1=CC(=CC=C1)C1(NC(N(C1=O)C)=S)C1=CC=NC=C1>>CS(=O)(=O)OC=1C=C(C=C(C1)OC)C1=CC(=CC=C1)C1(N=C(N(C1=O)C)N)C1=CC=NC=C1 | 5 |
ClCC1=C(C=CC(=C1)F)OC.C(C1=CC=CC=C1)(=O)C1CN(CCO1)CC1=CC=CC=C1>C(C)OCC.[Mg].II>C(C1=CC=CC=C1)N1CC(OCC1)C(CC1=C(C=CC(=C1)F)OC)(O)C1=CC=CC=C1 | 3 |
FC1=C2C(N(C(=NC2=CC=C1)[C@H](C)NC(OC(C)(C)C)=O)C1=CC=CC=C1)=O>O.Cl.C(C)(=O)OCC>N[C@@H](C)C1=NC2=CC=CC(=C2C(N1C1=CC=CC=C1)=O)F | 3 |
COC1=NC=C(C=C1NS(=O)(=O)C)B1OC(C(O1)(C)C)(C)C.BrC=1C=C(C2=CN(N=C2C1)C1OCCCC1)NC(=O)C1=NN(C=C1)CC1CCOCC1>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>COC1=C(C=C(C=N1)C1=CC(=C2C=NNC2=C1)NC(=O)C1=NN(C=C1)CC1CCOCC1)NS(=O)(=O)C | 3 |
C[O:2][C:3](=[O:20])[CH2:4][CH:5]1[C:10](=[O:11])[NH:9][CH:8]([CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:7](=[O:19])[NH:6]1.[OH-].[Na+].Cl>CO>[CH2:12]([CH:8]1[C:7](=[O:19])[NH:6][CH:5]([CH2:4][C:3]([OH:20])=[O:2])[C:10](=[O:11])[NH:9]1)[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1 | 1 |
CN1N=C(C=C1)N.C(C)(C)(C)NC(=O)C1=CN(C2=NC=C(N=C21)Br)COCC[Si](C)(C)C>>C(C)(C)(C)NC(=O)C1=CN(C2=NC=C(N=C21)NC2=NN(C=C2)C)COCC[Si](C)(C)C | 5 |
[Br:1][C:2]1[C:3]([CH2:16][OH:17])=[C:4]2[C:9](=[C:10]([CH3:12])[CH:11]=1)[NH:8][C:7]([CH3:14])([CH3:13])[CH2:6][CH:5]2[CH3:15].[F:18][CH2:19][CH2:20][O:21][C:22]1[CH:23]=[C:24]([CH:27]=[CH:28][CH:29]=1)[CH2:25]Br.[H-].[Na+]>CN(C=O)C>[Br:1][C:2]1[C:3]([CH2:16][O:17][CH2:25][C:24]2[CH:27]=[CH:28][CH:29]=[C:22]([O:21][CH... | 2 |
CP(=O)(C)C1=CC(=C(N)C=C1)OC.ClC1=NC=CC(=N1)NC1=C(C=CC=C1)S(=O)(=O)C(C)C>Cl.COCCO>CP(=O)(C)C1=CC(=C(C=C1)NC1=NC=CC(=N1)NC1=C(C=CC=C1)S(=O)(=O)C(C)C)OC | 3 |
C1(CC1)COC=1C=C(C=CC1OC(F)F)C(C)O>C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>C1(CC1)COC=1C=C(C=CC1OC(F)F)C(C)=O | 3 |
COCCl.COC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C>>COC(=O)C=1CN(CCC1OCOC)C(=O)OC(C)(C)C | 5 |
BrC=1C=NC(=NC1)Cl.Cl.CSC1(CCNCC1)C(=O)OCC>>BrC=1C=NC(=NC1)N1CCC(CC1)(C(=O)OCC)SC | 5 |
C(C)(C)N1N=CC=C1B1OC(C(O1)(C)C)(C)C.FC(S(=O)(=O)OC1=C(C=C(C=C1)C=1N(C(=C(C1)C(NC1CCOCC1)=O)C)CC1CCCCC1)C(C)(C)C)(F)F>>C(C)(C)(C)C=1C=C(C=CC1C1=CC=NN1C(C)C)C1=CC(=C(N1CC1CCCCC1)C)C(=O)NC1CCOCC1 | 5 |
IC1CCCC1.CC1=C(C=C(C=C1)[C@]1(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)CC1=CC=C(C=C1)O>>CC1=C(C=C(C=C1)[C@]1(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)CC1=CC=C(C=C1)OC1CCCC1 | 5 |
COCCBr.COC=1C=C(CCP(O)=O)C=CC1[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>COC=1C=C(CCP(OCCOC)=O)C=CC1[N+](=O)[O-] | 3 |
COCNC(=O)C1=NC=C(C=C1F)Br>>BrC=1C=C(C(=NC1)C=O)F | 5 |
[CH:1]1([C:4]2[N:8]=[C:7]([C:9]3[C:10]4[CH2:28][CH2:27][C:26]([F:30])([F:29])[CH2:25][C:11]=4[S:12][C:13]=3[NH:14][C:15]([C:17]3[CH2:21][CH2:20][CH2:19][C:18]=3[C:22]([OH:24])=[O:23])=[O:16])[O:6][N:5]=2)[CH2:3][CH2:2]1.[C:31]12C(=O)OC(=O)C=1CCCC2>>[CH:1]1([C:4]2[N:8]=[C:7]([C:9]3[C:10]4[CH2:28][CH2:27][C:26]([F:29])([... | 2 |
NC1=NC=CC=N1.FC(F)(F)I>O(O[H])[H].S(O)(O)(=O)=O.CS(=O)C>NC1=NC=C(C=N1)C(F)(F)F | 3 |
[C:1]([C:3]1([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1)#[N:2]>Cl.C(O)C.[Pt](=O)=O>[NH2:2][CH2:1][C:3]1([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1 | 1 |
[C:1]([O:6][C:7]12[CH2:16][CH:11]3[CH2:12][CH:13]([CH2:15][C:9]([O:17]S(C)(=O)=O)([CH2:10]3)[CH2:8]1)[CH2:14]2)(=[O:5])[C:2]([CH3:4])=[CH2:3].N1C=CC=CC=1.[CH2:28]([C:30]1([CH2:34]O)[CH2:33][O:32][CH2:31]1)[CH3:29]>>[C:1]([O:6][C:7]12[CH2:16][CH:11]3[CH2:12][CH:13]([CH2:15][C:9]([O:17][CH2:34][C:30]4([CH2:28][CH3:29])[C... | 2 |
[OH:1][CH2:2][C:3]1[NH:4][C:5]([C:9]2[C:10]([CH3:19])=[CH:11][C:12](C)=[C:13]([CH:17]=2)[C:14]([OH:16])=[O:15])=[C:6]([CH3:8])[N:7]=1.CC1C=CC(C(OC)=O)=CC=1B1OC(C)(C)C(C)(C)O1.CC1C=C(C)C(B2OC(C)(C)C(C)(C)O2)=CC=1C(OC)=O>>[OH:1][CH2:2][C:3]1[NH:4][C:5]([C:9]2[CH:17]=[C:13]([CH:12]=[CH:11][C:10]=2[CH3:19])[C:14]([OH:16])=... | 1 |
CC1(OC[C@H](O1)CO)C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C1(=CC=C(C=C1)S(=O)(=O)OCC1OC(OC1)(C)C)C | 3 |
C(C1=CC=CC=C1)OC1=C(C=CC=C1)C1=CCC2(OCCO2)CC1>[HH].C(C)(=O)OCC.[Pd]>O1CCOC12CCC(CC2)C2=C(C=CC=C2)O | 3 |
ClC1=C(C=CC=C1)C1=NC=2N(C(NC(C2N1C1=CC=C(C=C1)Cl)=O)=O)CC1=NC=C(C=C1)Cl.BrCS(=O)(=O)N>N(C)(C)C=O.C1CCC2=NCCCN2CC1>ClC1=C(C=CC=C1)C1=NC=2N(C(N(C(C2N1C1=CC=C(C=C1)Cl)=O)CS(=O)(=O)N)=O)CC1=NC=C(C=C1)Cl | 3 |
C1(=CC=CC=C1)B(O)O.BrC1=CC=2C(=NC=C(C2S1)C#N)OC1C(NCCC1)CO[Si](C)(C)C(C)(C)C>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>[Si](C)(C)(C(C)(C)C)OCC1NCCCC1OC1=NC=C(C2=C1C=C(S2)C2=CC=CC=C2)C#N | 3 |
[F:1][C:2]1[C:3]([C@@H:8]([NH:20][C:21]([C:23]2[CH:32]=[CH:31][C:26]([C:27]([O:29]C)=[O:28])=[CH:25][N:24]=2)=[O:22])[C:9]2[CH:14]=[CH:13][C:12]([O:15][C:16]([F:19])([F:18])[F:17])=[CH:11][CH:10]=2)=[N:4][CH:5]=[CH:6][CH:7]=1.Cl.FC(F)(F)C1C=CC([C@@H](C2C(C(F)(F)F)=CC=CN=2)N)=CC=1.COOC(C1C=CC(C(O)=O)=NC=1)=O.O.[OH-].[Li... | 1 |
C(OC(C)(C)C)(OC(C)(C)C)=O.NC=1C=CC(=NC1)OC>>COC1=CC=C(C=N1)NC(OC(C)(C)C)=O | 5 |
N1=C(N=CC=C1)N1CCC(CC1)O.FC1=C(C=CC(=C1)F)[C@@]1(O[C@@H]1C)CN1N=CN=C1>N(C)(C)C=O.CC(C)(C)[O-].[K+]>FC1=C(C=CC(=C1)F)[C@@](CN1N=CN=C1)([C@@H](C)OC1CCN(CC1)C1=NC=CC=N1)O | 3 |
[Cl:1][C:2]1[N:3]=[C:4]2[CH:13]=[CH:12][CH:11]=[N:10][C:5]2=[N:6][C:7]=1[NH:8][NH2:9].[CH:14](OC)(OC)OC>CCOCC>[Cl:1][C:2]1[C:7]2[N:6]([CH:14]=[N:9][N:8]=2)[C:5]2[N:10]=[CH:11][CH:12]=[CH:13][C:4]=2[N:3]=1 | 2 |
[CH3:1][O:2][C:3](=[O:26])[CH:4]([NH:18]C(OC(C)(C)C)=O)[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([NH:11][CH:12]2[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]2)[CH:6]=1.Cl>O1CCOCC1>[CH3:1][O:2][C:3](=[O:26])[CH:4]([NH2:18])[C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([NH:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[CH:6]=1 | 1 |
BrC1=C(C=CC(=N1)C1=NC2=CC(=CC(=C2C(N1)=O)OC)OC)OC.ClC1=C(C=CC(=C1)C(N(C)C)=O)B(O)O>>ClC=1C=C(C(=O)N(C)C)C=CC1C1=NC(=CC=C1OC)C1=NC2=CC(=CC(=C2C(N1)=O)OC)OC | 5 |
C(C(C)(C)C)(=O)OCCl.C1(CCCCC1)NC1=C(C=C2C(C(=CN(C2=C1)C(CC)CC)/C=C/P(O)(O)=O)=O)F>CC#N.[I-].[Na+].C1CCC2=NCCCN2CC1.S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C(C)(C)C)(=O)OCOP(=O)(O)\C=C\C1=CN(C2=CC(=C(C=C2C1=O)F)NC1CCCCC1)C(CC)CC | 3 |
COC(C1=C(C(=CC(=C1)F)C)I)=O>>FC=1C=C(C(=C(C1)CO)I)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(C)(C)OC(NCCCN[C@@H](C)C#C)=O>>C[C@@H](C#C)N(C(OC(C)(C)C)=O)CCCNC(=O)OC(C)(C)C | 5 |
C([O:3][C:4]([C:6]1[NH:7][C:8]2[C:13]([CH:14]=1)=[CH:12][C:11]([C:15]1[CH:20]=[CH:19][C:18]([C:21]([CH3:24])([CH3:23])[CH3:22])=[CH:17][CH:16]=1)=[CH:10][CH:9]=2)=[O:5])C.[Cl:25][C:26]1[CH:31]=[CH:30][C:29](B(O)O)=[CH:28][CH:27]=1>>[C:21]([C:18]1[CH:19]=[CH:20][C:15]([C:11]2[CH:12]=[C:13]3[C:8](=[CH:9][CH:10]=2)[N:7]([... | 1 |
[C]=O.C(C1=CC=CC=C1)O.IC1=CC=C(C(=N1)C)C1=CC=C(C=C1)OC>CC#N.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>COC1=CC=C(C=C1)C=1C=CC(=NC1C)C(=O)OCC1=CC=CC=C1 | 3 |
CC(C)([O-])C.[K+].[C:7]([O:13][CH2:14][CH2:15][CH2:16][CH3:17])(=[O:12])[CH2:8][C:9]([CH3:11])=[O:10].[C:18](Cl)(=[O:22])[CH:19]([CH3:21])[CH3:20].Cl>C(OCC)C.O>[CH3:20][CH:19]([CH3:21])[C:18](=[O:22])[CH:8]([C:9](=[O:10])[CH3:11])[C:7]([O:13][CH2:14][CH2:15][CH2:16][CH3:17])=[O:12] | 1 |
FC(C1=CC=C(CBr)C=C1)(F)F.C(#N)C=1SC2=C(N1)C=CC(=C2)O>>FC(C1=CC=C(COC2=CC3=C(N=C(S3)C#N)C=C2)C=C1)(F)F | 5 |
NC1=NN(C=C1Br)C1CCN(CC1)C(=O)OC(C)(C)C>CC#N.O.N(=O)OC(C)(C)C.Cl[Cu]>BrC=1C(=NN(C1)C1CCN(CC1)C(=O)OC(C)(C)C)Cl | 3 |
C([O:3][C:4](=O)[CH2:5][N:6]1[CH:10]=[C:9]([C:11]2[CH:32]=[CH:31][C:14]3[C:15]4[N:16]=[C:17]([C:23]5[N:24]([CH:28]([CH3:30])[CH3:29])[N:25]=[CH:26][N:27]=5)[S:18][C:19]=4[CH2:20][CH2:21][O:22][C:13]=3[CH:12]=2)[CH:8]=[N:7]1)C.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[CH:28]([N:24]1[C:23]([C:17]2[S:18][C:19]3[CH2:20][CH... | 1 |
C(C)(=O)OC(C)=O.Cl.Cl.N1CCC(CC1)NC(=O)NC=1N=C2C(=NC1)N(C=C2)COCC[Si](C)(C)C>>C(C)(=O)N1CCC(CC1)NC(=O)NC=1N=C2C(=NC1)N(C=C2)COCC[Si](C)(C)C | 5 |
C(#C)[Si](C)(C)C.IC=1N=C(NC1)[C@H]1N([C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C>[Cu]I.N(C)(C)C=O.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C[Si](C)(C)C#CC1=CN=C(N1)[C@H]1N([C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C | 3 |
ClCC=1C=C(C(=O)Cl)C=CC1>ClCCl.C1CCNC1.CCN(CC)CC>ClCC=1C=C(C=CC1)C(=O)N1CCCC1 | 3 |
NC1=CC2=C(OC[C@@H]3N2C(CC3)=O)N=C1.ClC1=CC2=C(C=N1)C=1C=CC(=CC1OC2)N2C(CCC2)=O>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+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C>O=C1N(CCC1)C=1C... | 3 |
[O:1]=[C:2]([CH:11]1[C:16]([CH3:18])([CH3:17])[CH2:15][CH:14]=[CH:13][CH:12]1[CH3:19])[CH2:3][CH:4]([S:6][CH2:7][C:8]([OH:10])=[O:9])[CH3:5].FC(F)(F)C(N(C)[Si:25]([CH3:28])([CH3:27])[CH3:26])=O>>[O:1]=[C:2]([CH:11]1[C:16]([CH3:17])([CH3:18])[CH2:15][CH:14]=[CH:13][CH:12]1[CH3:19])[CH2:3][CH:4]([S:6][CH2:7][C:8]([O:10][... | 2 |
[Cl:1][C:2]1[C:7]([N:8]2[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][N:16]([CH3:26])[S:17]([C:20]3[CH:21]=[N:22][N:23]([CH3:25])[CH:24]=3)(=[O:19])=[O:18])[CH2:10][CH2:9]2)=[CH:6][CH:5]=[CH:4][N:3]=1.CC1(C)C(C)(C)OB([C:35]2[CH:44]=[CH:43][C:38]([NH:39][C:40](=[O:42])[CH3:41])=[CH:37][CH:36]=2)O1.C(=O)([O-])[O-].[K+].[K+].CC... | 1 |
C(C)(C)NCC1=NC(=NO1)C1=CC=C(C=C1)C.ClCC1=NC(=NO1)C=1C=NC=NC1>>N1=CN=CC(=C1)C1=NOC(=N1)CNC(C)C | 5 |
C1(CC1)C(=O)Cl.NCC1=C(C=C(C=C1)C(=O)N1C2=C(C=3N(C(=NC3CC1)C)CC1=CC=CC=C1)C=CC=C2)C>>C(C1=CC=CC=C1)N1C(=NC=2CCN(C3=C(C12)C=CC=C3)C(=O)C3=CC(=C(CNC(=O)C1CC1)C=C3)C)C | 5 |
[Br:1][C:2]1[CH:3]=[N:4][C:5](F)=[C:6]([CH:9]=1)[C:7]#[N:8].[F:11][C@H:12]1[CH2:16][CH2:15][NH:14][CH2:13]1>CC#N>[Br:1][C:2]1[CH:3]=[N:4][C:5]([N:14]2[CH2:15][CH2:16][C@H:12]([F:11])[CH2:13]2)=[C:6]([CH:9]=1)[C:7]#[N:8] | 1 |
O=C(CNC(=O)C1=CC=C(C=C1)C1=C(C=CC=C1)OCC1=CC=CC=C1)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O>O.CO[H].[Pd].C(=O)[O-].[NH4+]>O=C(CNC(=O)C1=CC=C(C=C1)C1=C(C=CC=C1)O)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O | 3 |
CS(=O)(=O)Cl.C12CC(CC(CC1)N2)C2=CC=NC=1N2N=C(C1C=1C=CC(=C(C1)O)Cl)C1=CC=NC=C1>ClCCl.CCN(CC)CC.CN1C(CCC1)=O>ClC1=C(C=C(C=C1)C=1C(=NN2C1N=CC=C2C2CC1CCC(C2)N1S(=O)(=O)C)C1=CC=NC=C1)O | 3 |
C[C@@H]1[C@@H](C(N(C2=C(O1)C=CC=N2)C)=O)NC(OC(C)(C)C)=O>Cl.O1CCOCC1>Cl.N[C@@H]1C(N(C2=C(O[C@@H]1C)C=CC=N2)C)=O | 3 |
ClC=1C=C(C(=O)O)C=CC1F.N[C@H]1CC[C@H](CC1)NC1=NC=C(C(=C1)N(C)C)C>>Cl.ClC=1C=C(C(=O)N[C@@H]2CC[C@@H](CC2)NC2=NC=C(C(=C2)N(C)C)C)C=CC1F | 5 |
[C:1]([CH:3]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([O:11][C:12]2[CH:17]=[CH:16][C:15]([CH3:18])=[C:14]([CH3:19])[CH:13]=2)[N:6]=1)[OH:4])#[N:2].[C:20]([CH:22]([C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([O:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=2[F:37])[N:25]=1)[OH:23])#[N:21].[Cl:38][C:39]1[CH:44]=[C:43]([C:45]([F:48])([F... | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([NH:13][C@@H:14]1[CH2:22][C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C@H:15]1[CH2:23][C:24]([O:26]C)=[O:25])=[O:12])=[CH:5]2.C(=O)([O-])[O-].[K+].[K+]>CO>[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([NH:13][C@@H:14]1[CH2:22][C:21... | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH2:9][C:10]3([CH2:16][C:17]([CH3:32])([CH3:31])[C:18]=2/[CH:19]=[CH:20]/[CH:21]([OH:30])[CH2:22][CH:23]([OH:29])[CH2:24][C:25]([O:27]C)=[O:26])[S:15][CH2:14][CH2:13][CH2:12][S:11]3)=[CH:4][C:3]=1[CH3:33].[OH-].[Na+]>CO>[OH:29][CH:23]([CH2:22][CH:21]([OH:30])/[CH:20]=[CH:19]/[C:18]1... | 1 |
C(C1=CC=CC=C1)N1C(CCCC1)=O.C(C(C)C)(=O)OCC>>C(C)OC(C(C)(C)C1(CCN(CC1)CC1=CC=CC=C1)O)=O | 5 |
FC(C(F)(F)F)(F)C1=CC(=NC=N1)C(N)=NO>>FC(C(F)(F)F)(F)C1=CC(=NC=N1)C=1NOC(N1)=O | 5 |
N1=CC=NC=2SC3=C(NC21)C=C(C=C3)C(=O)OC>>N1=CC=NC=2SC3=C(NC21)C=C(C=C3)C(=O)O | 5 |
COC=1C=CC2=C(CCN(C(N2)=O)C2CCNCC2)C1.ClC1=CC(=NC(=N1)C)C(=O)C1=CC2=C(N(C(O2)=O)C)C(=C1)C>>CN1C(OC2=C1C(=CC(=C2)C(=O)C2=CC(=NC(=N2)C)N2CCC(CC2)N2C(NC1=C(CC2)C=C(C=C1)OC)=O)C)=O | 5 |
BrC=1C=C(C(=NC1)OC)C=O.CC1=CC=C(OC2=CC=C(N)C=C2)C=C1>>BrC=1C=C(C(=NC1)OC)CNC1=CC=C(C=C1)OC1=CC=C(C=C1)C | 5 |
NC1=CC=C(C=C1)N1C2=C(NC(CC1=O)=O)C1=CC=CC=C1C=C2.N1=C(C=CC=C1)OCC(=O)O>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>N1=C(C=CC=C1)OCC(=O)NC1=CC=C(C=C1)N1C2=C(NC(CC1=O)=O)C1=CC=CC=C1C=C2 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12]=1[Cl:13])[CH:5]([OH:9])[C:6]([OH:8])=O.[NH2:14][CH2:15][CH:16]1[CH2:25][CH2:24][C:23]2[C:18](=[CH:19][C:20]([O:26][CH3:27])=[CH:21][CH:22]=2)[CH2:17]1>>[CH3:27][O:26][C:20]1[CH:19]=[C:18]2[C:23]([CH2:24][CH2:25][CH:16]([CH2:15][NH:14][C:6](=[O:8])[CH:5]([C:4]3[CH:10]=[CH:1... | 1 |
FC1=C(C=CC=C1)[N+](=O)[O-].BrC1=CC(=C(N)C=C1)C>CCN(CC)CC>BrC1=CC(=C(C=C1)NC1=C(C=CC=C1)[N+](=O)[O-])C | 3 |
[CH3:1][C:2]1[CH2:7][CH2:6][C@@H:5]([C:8]([CH3:10])=[CH2:9])[CH2:4][CH:3]=1>CC1CCC(=C(C)C)CC=1>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([CH3:10])[CH3:9])=[CH:6][CH:7]=1 | 1 |
[C:1]([C:5]1[CH:9]=[C:8]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[N:7]([CH2:16][C:17]2[CH:38]=[CH:37][C:20]([CH2:21][O:22][C:23]3[CH:28]=[CH:27][C:26]([CH2:29][CH2:30][C:31]([O:33]CC)=[O:32])=[C:25]([F:36])[CH:24]=3)=[CH:19][CH:18]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].Cl>CO.O1CCCC1.O>[C:1]([C:5]1[CH:9... | 1 |
ClC1=C(C=C(C(=N1)C(=O)OC)C)C=C>ClCCl.CSC.C(O)([O-])=O.[Na+]>ClC1=C(C=C(C(=N1)C(=O)OC)C)C=O | 3 |
[CH3:1][Mg]Br.[Cl:4][C:5]1[N:10]=[C:9]([Cl:11])[N:8]=[C:7](Cl)[N:6]=1>O1CCCC1>[Cl:4][C:5]1[N:10]=[C:9]([Cl:11])[N:8]=[C:7]([CH3:1])[N:6]=1 | 1 |
[F:1][C:2]1[C:7]2[CH2:8][CH2:9][CH:10]([N:19]3[CH:23]=[C:22]([C:24]4[CH:29]=[CH:28][N:27]=[C:26](F)[CH:25]=4)[N:21]=[N:20]3)[C:11](=[O:18])[N:12]([CH2:13][C:14]([F:17])([F:16])[F:15])[C:6]=2[CH:5]=[CH:4][CH:3]=1.CC(O)=[O:33].O>>[F:1][C:2]1[C:7]2[CH2:8][CH2:9][CH:10]([N:19]3[CH:23]=[C:22]([C:24]4[CH:29]=[CH:28][NH:27][C... | 1 |
[H-].[Na+].[Br:3][C:4]1[CH:5]=[CH:6][C:7](=[O:10])[NH:8][CH:9]=1.Br[CH2:12][CH:13]1[CH2:15][CH2:14]1.O>O1CCCC1>[Br:3][C:4]1[CH:5]=[CH:6][C:7](=[O:10])[N:8]([CH2:12][CH:13]2[CH2:15][CH2:14]2)[CH:9]=1 | 2 |
ClC1=C(C(=O)O)C=CC(=C1)N1CCCC1.C(C)(=O)O.N1(CCNCC1)C1=NC2=CC=CC=C2C(N1)=O>N(C)(C)C=O.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>ClC1=C(C(=O)N2CCN(CC2)C2=NC3=CC=CC=C3C(N2)=O)C=CC(=C1)N1CCCC1 | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([CH3:12])[CH:8]=[C:7]2Cl.[Cl:14][C:15]1[CH:16]=[C:17]([CH:20]=[CH:21][C:22]=1[Cl:23])[CH2:18][NH2:19].O>CS(C)=O>[Br:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([CH3:12])[CH:8]=[C:7]2[NH:19][CH2:18][C:17]1[CH:20]=[CH:21][C:22]([Cl:23])=[C:15]([Cl:14])... | 1 |
[F:1][C:2]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][C:3]=1[CH2:4][C@H:5]1[CH2:10][C@@H:9]([C:11]2[O:15][NH:14][C:13](=[O:16])[CH:12]=2)[CH2:8][CH2:7][N:6]1[C:17]([O:19][CH3:20])=[O:18].CCCCCCC.CCO>C(#N)C>[F:1][C:2]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][C:3]=1[CH2:4][C@H:5]1[CH2:10][C@@H:9]([C:11]2[O:15][NH:14][C:13](=[O:1... | 1 |
NC1=C(C(=NN1C1=C(C=CC(=C1)[N+](=O)[O-])COC1OCCCC1)C1=CC=C(C=C1)OC1=CC=CC=C1)C(=O)N>>NC1=C(C(=NN1C1=C(C=CC(=C1)[N+](=O)[O-])CO)C1=CC=C(C=C1)OC1=CC=CC=C1)C(=O)N | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[N:14]=[CH:13][C:12]([NH:15][C:16]([C:18]3([NH:22]C(=O)OC(C)(C)C)[CH2:21][CH2:20]C3)=[O:17])=[CH:11][CH:10]=2)=[CH:4][C:3]=1[O:30][CH3:31].CC1C=CC(OC2N=CC(NC(C3(NC(=O)OC(C)(C)C)CC3)=O)=CC=2)=CC=1OC>>[NH2:22][C:18]1([C:16]([NH:15][C:12]2[CH:13]=[N:14][C:9]([O:8][C:5]3[CH:6]=[CH... | 1 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CCCCNCCN1C2=C(N=C3C(NC(N=C13)=O)=O)C=C(C(=C2)C)C>>N[C@H](C(=O)O)CCCCNCCN1C2=C(N=C3C(NC(N=C13)=O)=O)C=C(C(=C2)C)C | 5 |
CS(=O)(=O)Cl.C(C)(C)(C)C1=NN(C(=C1)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2[C@H](CCC[C@H]2C)C)C=2C=NN(C2)CCO>ClCCl.C(C)(C)N(C(C)C)CC>C(C)(C)(C)C1=NN(C(=C1)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2[C@H](CCC[C@H]2C)C)C=2C=NN(C2)CCOS(=O)(=O)C | 3 |
[C:1]1([S:7]([C:10]2[CH:19]=[C:18]3[C:13]([C:14](=[O:30])[NH:15][C:16]([N:20]4[CH:24]=[C:23]([C:25]([O:27]CC)=[O:26])[CH:22]=[N:21]4)=[N:17]3)=[CH:12][CH:11]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Li+].[OH-].Cl>C1COCC1>[C:1]1([S:7]([C:10]2[CH:19]=[C:18]3[C:13]([C:14](=[O:30])[NH:15][C:16]([N:20]4[CH:24]=[... | 1 |
[C:1]([C:5]1[N:9]([CH2:10][CH:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)[C:8]2[CH:17]=[CH:18][C:19]([NH:21]C(=O)C)=[CH:20][C:7]=2[N:6]=1)([CH3:4])([CH3:3])[CH3:2].Cl>CCO>[C:1]([C:5]1[N:9]([CH2:10][CH:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)[C:8]2[CH:17]=[CH:18][C:19]([NH2:21])=[CH:20][C:7]=2[N:6]=1)([CH3:4])([CH3... | 2 |
C(C)OC(CCCOC1=C(C(=CC=C1)CCCCCCOC1=CC(=CC(=C1)S(=O)(=O)C)I)CCC(=O)OCC)=O.S1C=NC2=C1C=CC(=C2)B2OC(C)(C)C(C)(C)O2>>C(C)OC(CCCOC1=C(C(=CC=C1)CCCCCCOC1=CC(=CC(=C1)S(=O)(=O)C)C=1C=CC2=C(N=CS2)C1)CCC(=O)OCC)=O | 5 |
CC=1C=C(C=CC1F)O>>BrC1=C(C=C(C(=C1)F)C)O | 5 |
ClC1=CC=C(C=C1)N=C=O.BrC1=C(N(N=C1)C(C)C)C=1C=C(C=CC1OC)N>ClCCl>BrC1=C(N(N=C1)C(C)C)C=1C=C(C=CC1OC)NC(=O)NC1=CC=C(C=C1)Cl | 3 |
C(C)S.ClC=1C(=NC=C(C1)C(F)(F)F)C#N>N(C)(C)C=O.[H-].[Na+]>C(#N)C1=NC=C(C=C1SCC)C(F)(F)F | 3 |
[C:1]1([C:7]2[CH:11]=[C:10]([S:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[NH:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:19](OC(=O)C)(=[O:21])[CH3:20]>S(=O)(=O)(O)O>[C:19]([N:9]1[C:10]([S:12][C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=2)=[CH:11][C:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)=[N:8]1)(=[O:21... | 1 |
BrCCCCl.CN1C(=NN=C1C1=NC=NC=C1)S>CO[H].C([O-])([O-])=O.[K+].[K+].CC(=O)C>ClCCCSC=1N(C(=NN1)C1=NC=NC=C1)C | 3 |
N1(CCCCC1)CCOC1=CC=CC=2C3=C(NC12)CCN(C3)C(=O)OC(C)(C)C>>N1(CCCCC1)CCOC1=CC=CC=2C3=C(NC12)CCNC3 | 5 |
CC(CCNC(=O)CC1=CC=C(C#N)C=C1)(C)C>CO[H].Cl.[HH].[Pd]>CC(CCNC(=O)CC1=CC=C(CN)C=C1)(C)C | 3 |
C[Sn](C)(C)C.BrC1=C(C=C(C(=C1F)S(N(C1=NC(=CC=C1)F)CC1=C(C=C(C=C1)OC)OC)(=O)=O)F)N[C@@H]1CN(CC1)C(=O)OC(C)(C)C>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].[Cl-].[Li+].[Cl-].[NH4+]>COC1=C(CN(S(=O)(=O)C2=C(C(=C(C=C2F)N[C@@H]2CN(CC2)C(=O)OC(C)(C)C)C)F)C2=NC(=C... | 3 |
BrCC1=CC=C(C=C1)C1=C(C#N)C=CC=C1.C(C)C1=CC2=C(NC(N(C2=O)CC(=O)OC)=O)S1>>C(#N)C1=C(C=CC=C1)C1=CC=C(C=C1)CN1C(N(C(C2=C1SC(=C2)CC)=O)CC(=O)OC)=O | 5 |
Cl.ClC1=CC=2N(C=C1)C=NC2CN.ClC1=C(C=CC=2N1C=C(N2)CN2N=CC(=C2)C(=O)O)C2CC2>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>ClC1=C(C=CC=2N1C=C(N2)CN2N=CC(=C2)C(=O)NCC=2N=CN1C2C=C(C=C1)Cl)C1CC1 | 3 |
[F:1][CH:2]1[CH2:6][CH2:5][CH2:4][CH:3]1[C:7]([O:9]CC)=[O:8].[OH-].[Li+].O.Cl>CO>[F:1][CH:2]1[CH2:6][CH2:5][CH2:4][CH:3]1[C:7]([OH:9])=[O:8] | 2 |
[Si:1]([O:8][CH2:9][C@H:10]1[C@H:14]([O:15][CH:16]2[CH2:21][CH2:20][CH2:19][CH2:18][O:17]2)[CH2:13][C@H:12]([OH:22])[C@@H:11]1[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][C:29]([OH:31])=[O:30])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[C:32]1(C2CCCCCCCCCC=2)CCCCCCCCNN=1.CI>C(#N)C>[Si:1]([O:8][CH2:9][C@H:10]... | 1 |
N(=C=S)C1=CC(=C(C#N)C=C1)C(F)(F)F.BrC=1C=C(C=CC1O)NC(C#N)(C)C>CO[H].Cl.CN(C(C)=O)C>BrC=1C=C(C=CC1O)N1C(N(C(C1(C)C)=O)C1=CC(=C(C#N)C=C1)C(F)(F)F)=S | 3 |
FC(C1=CC=C(C(CBr)=O)C=C1)(F)F.C(C1=CC=CC=C1)OC(CC(N)=S)=O>CCO[H]>C(C)OC(CC=1SC=C(N1)C1=CC=C(C=C1)C(F)(F)F)=O | 3 |
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