smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(CCCC)C1CCC(CC1)CO>C1(=CC=CC=C1)C.O.c1ccncc1.CS(=O)(=O)Cl>CS(=O)(=O)OCC1CCC(CC1)CCCCC | 3 |
BrC(C)C1=CC=CC=C1.OC1=CC=C(C=C1)C1=NC=2C(=NC(=CC2)N2CCN(CC2)C(=O)OC(C)(C)C)N1COCC[Si](C)(C)C>>C1(=CC=CC=C1)C(C)OC1=CC=C(C=C1)C1=NC=2C(=NC(=CC2)N2CCN(CC2)C(=O)OC(C)(C)C)N1COCC[Si](C)(C)C | 5 |
Cl.C(N)(=N)N1CCC(CC1)CCC(=O)O>N(C)(C)C=O.C1(CCCCC1)N=C=NC1CCCCC1.C1(=CC=CC=C1)S.CC(C)(C)O>Cl.C(N)(=N)N1CCC(CC1)CCC(=O)OSC1=CC=CC=C1 | 3 |
C/C(=N\O)/C(=O)C.C1=CC=CC2=C1C=NC1=C(S2)C=CC=C1>[Zn].C(C)(=O)O>CC=1N=C2N(C3=C(SC4=C2C=CC=C4)C=CC=C3)C1C | 3 |
C(OC([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][C:16](=[O:48])[NH:17][CH:18]([B:35]2[O:43]C3C(C)(C4CC(C3)C4(C)C)[O:36]2)[CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[C:22]([C:26]([O:28]C(C)(C)C)=[O:27])[C:21]=2OC)[CH2:10][CH2:9]1)=O)(C)(C)C.B(Cl)(Cl)Cl>>[OH:43][B:35]1[CH:18]([NH:17][C:16](=[O:48])[CH2:15][CH2:14][N:11]2[CH... | 2 |
[CH2:1]([N:8]1[CH2:23][CH2:22][N:11]2[C:12](=[O:21])[C:13]3[CH:14]=[C:15](Br)[CH:16]=[CH:17][C:18]=3[CH2:19][C@@H:10]2[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:24]([Cu])#[N:25].CCOC(C)=O.O>CN1CCN(C)C1=O.[Cu]I>[CH2:1]([N:8]1[CH2:23][CH2:22][N:11]2[C:12](=[O:21])[C:13]3[CH:14]=[C:15]([C:24]#[N:25])[CH:16]=[CH:... | 1 |
[NH:1]1[CH2:6][CH2:5][CH:4]([NH:7][C:8](=[O:20])[C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([C:15]3[NH:19][N:18]=[N:17][N:16]=3)[CH:10]=2)[CH2:3][CH2:2]1.N1C(C2C=C(C=CC=2)C(O)=O)=NN=N1.[C:35]([O:39][C:40](N1CCC(N)CC1)=[O:41])([CH3:38])([CH3:37])[CH3:36].Cl.CN(C)CCCN=C=NCC>CN(C1C=CN=CC=1)C.ClCCl>[C:35]([O:39][C:40]([N:1]1[CH2:6... | 1 |
C([O:8][C:9]1[CH:10]=[C:11]([CH:15]([C:17]2[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[N:19]([CH2:26][CH2:27][CH3:28])[N:18]=2)[OH:16])[CH:12]=[CH:13][CH:14]=1)C1C=CC=CC=1.C([O-])=O.[NH4+]>[Pd].C(O)C>[OH:8][C:9]1[CH:10]=[C:11]([C:15]([C:17]2[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[N:19]([CH2:26][CH2:27][CH3:... | 1 |
N1(CC1)CCO.ClC1=C(C(=O)NCCOC2OCCCC2)C=C(C=C1[N+](=O)[O-])[N+](=O)[O-]>>OCCN(C1=C(C(=O)NCCOC2OCCCC2)C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCI | 5 |
Cl.Cl.[OH:3][C@@H:4]1[CH2:11][N:10]([CH2:12][CH2:13][CH2:14][N:15]2[C:21](=[O:22])[CH2:20][CH2:19][NH:18][C@H:17]([CH3:23])[CH2:16]2)[CH2:9][CH2:8][C:5]21[CH2:7][CH2:6]2.[Cl:24][C:25]1[CH:26]=[C:27]([N:31]=[C:32]=[O:33])[CH:28]=[CH:29][CH:30]=1>>[Cl:24][C:25]1[CH:26]=[C:27]([NH:31][C:32]([N:18]2[CH2:19][CH2:20][C:21](=... | 1 |
[N+](=O)([O-])C=1C=C(C=CC1)B(O)O.BrC1=CC(=C(C(=C1)C)O)C>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Pd]>[N+](=O)([O-])C=1C=C(C=CC1)C1=CC(=C(C(=C1)C)O)C | 3 |
[F:1][C:2]1[CH:28]=[CH:27][CH:26]=[C:25]([F:29])[C:3]=1[O:4][C:5]1[CH:6]=[N:7][N:8]([CH:12]([CH2:16][C:17]2[C:22]([F:23])=[CH:21][CH:20]=[CH:19][C:18]=2[F:24])[C:13]([OH:15])=O)[C:9](=[O:11])[CH:10]=1.[NH2:30][C:31]1[CH:35]=[CH:34][N:33]([CH2:36][C:37]([CH3:40])([OH:39])[CH3:38])[N:32]=1>>[F:1][C:2]1[CH:28]=[CH:27][CH:... | 1 |
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH2:9].[C:10]1([CH3:20])[CH:15]=[CH:14][C:13]([S:16](Cl)(=[O:18])=[O:17])=[CH:12][CH:11]=1>N1C=CC=CC=1>[CH3:20][C:10]1[CH:15]=[CH:14][C:13]([S:16]([NH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][S:16]([C:13]2[CH:14]=[CH:15][C:10]([CH3:20])=[CH:11][C... | 1 |
CC1(C(NC2=CC3=C(N=C(N3)C3=C(C=C(C=C3)SC)OC)C=C21)=O)C>O(O[H])[H].O.C(C)(=O)O>CC1(C(NC2=CC3=C(N=C(N3)C3=C(C=C(C=C3)S(=O)(=O)C)OC)C=C21)=O)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH2:14][CH2:15][O:16][CH3:17])[N:9]=[CH:8][N:7]=[C:6]2[O:18][C:19]1[CH:20]=[C:21]([CH:23]=[CH:24][CH:25]=1)[NH2:22].[CH:26]1([C:29]2[CH:33]=[C:32]([NH:34][C:35](=O)[O:36]C3C=CC=CC=3)[O:31][N:30]=2)[CH2:28][CH2:27]1.COC1C=C2C(=CC=1OC)N=CN=C2OC1C=C(NC(NC2ON=C(C... | 1 |
N1C(=O)NC(=O)CC1.C(C)(=O)N1C(=CC2=CC=C(C=C12)Br)C1CCN(CC1)C(=O)OC(C)(C)C>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(CCCCC1)P(C1=C(C=CC=C1OC(C)C)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C1CCCCC1.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C(=CC=C2)OC(C)C)[PH+](C3CCCCC3)C4CCCCC4)C(C)C.C[N-]C1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd+2]>O=C1N(CCC(N1... | 3 |
BrC=1C=C2C(=NNC(C2=CC1)=O)Cl.S1C=C(C=C1)C=1C=C(CN)C=CC1>>ClC1=NNC(C2=CC=C(C=C12)NCC1=CC(=CC=C1)C1=CSC=C1)=O | 5 |
[CH3:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([C:9]2[O:13][C:12]([CH:14]=[O:15])=[CH:11][CH:10]=2)=[C:4]([N+:16]([O-:18])=[O:17])[CH:3]=1.[OH-:19].[Na+]>[N+]([O-])([O-])=O.[Ag+].Cl>[CH3:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([C:9]2[O:13][C:12]([C:14]([OH:19])=[O:15])=[CH:11][CH:10]=2)=[C:4]([N+:16]([O-:18])=[O:17])[CH:3]=1 | 1 |
C(C)(=O)OCC=1C(=NC=CC1C1=CN(C(C(=C1)NC=1N=CN(C1)C1CCN(CC1)C1COC1)=O)C)N1C(C=2N(C=3CCCCC3C2)CC1)=O>>OCC=1C(=NC=CC1C1=CN(C(C(=C1)NC=1N=CN(C1)C1CCN(CC1)C1COC1)=O)C)N1C(C=2N(C=3CCCCC3C2)CC1)=O | 5 |
O=C1CCC2=CC=C(C=C12)C(=O)O>>O=C1CCC2=CC=C(C=C12)C(=O)OC | 5 |
[C:1]([O:5][C:6](=[O:20])[NH:7][CH:8]1[CH2:12][CH2:11][N:10]([C:13]([N:15]2[CH:19]=[CH:18][N:17]=[CH:16]2)=[O:14])[CH2:9]1)([CH3:4])([CH3:3])[CH3:2].[CH3:21][I:22]>CC#N>[I-:22].[C:1]([O:5][C:6]([NH:7][CH:8]1[CH2:12][CH2:11][N:10]([C:13]([N:15]2[CH:19]=[CH:18][N+:17]([CH3:21])=[CH:16]2)=[O:14])[CH2:9]1)=[O:20])([CH3:4])... | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([NH:17][C@H:18]([C:25]([O:27]CC3C=CC=CC=3)=[O:26])[CH2:19][C:20]([O:22][CH2:23][CH3:24])=[O:21])=[O:16])=[C:11]([NH:35][C:36]([NH:38][C:39]3[C:44]([CH3:45])=[CH:43][C:42]([CH3:46])=[CH:41][C:40]=3[CH3:47])=[O:37])[CH:10]=2)=[CH:5][CH:4]=1.[H][H]>CC... | 2 |
C1(CC1)N.BrC=1C=C(C=C(C1)C(F)(F)F)S(=O)(=O)Cl>>BrC=1C=C(C=C(C1)C(F)(F)F)S(=O)(=O)NC1CC1 | 5 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([CH:10]=[CH:11][C:12]([OH:14])=O)=[CH:2]1.N1C2C(=CC=CC=2)C(C=C[C:26]([OH:28])=[O:27])=C1.[F:29][C:30]1[CH:42]=[CH:41][C:33]([C:34]([NH:36][NH:37][CH:38]([CH3:40])[CH3:39])=[O:35])=[CH:32][CH:31]=1.CN(C(ON1N=NC2[CH:54]=[CH:55][CH:56]=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(... | 1 |
NC1=C(C(=NN1C1=C(C=CC=C1Cl)Cl)C(C)C)C(=O)N.OC1=CC=C(C=C1)CC(=O)OCC>CCO[H].CC[O-].[Na+]>ClC1=C(C(=CC=C1)Cl)N1N=C(C2=C1N=C(NC2=O)CC2=CC=C(C=C2)O)C(C)C | 3 |
O1CCO[CH:2]1[CH2:6][CH2:7][C:8]([C:10]1[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][CH:11]=1)=O.[C:20]([NH:23][CH2:24][CH2:25][NH2:26])(=[O:22])[CH3:21]>C(O)(=O)C>[F:19][C:16]([F:17])([F:18])[C:13]1[CH:12]=[CH:11][C:10]([C:8]2[N:26]([CH2:25][CH2:24][NH:23][C:20](=[O:22])[CH3:21])[CH:2]=[CH:6][CH:7]=2)=[C... | 1 |
FC(C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)F.BrC1=CN=C2N1C=C(N=C2)C2=CC=C(C=C2)C(=O)N2CCN(CC2)C>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+]>FC(C1=CC=C(C=C1)C1=CN=C2N1C=C(N=C2)C2=CC=C(C=C2)... | 3 |
[CH2:1]([O:3][C:4](=[O:19])/[CH:5]=[CH:6]/[C:7]1[C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][N:10]=[C:9]([O:17][CH3:18])[CH:8]=1)[CH3:2]>CO.[Pd]>[CH2:1]([O:3][C:4](=[O:19])[CH2:5][CH2:6][C:7]1[C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][N:10]=[C:9]([O:17][CH3:18])[CH:8]=1)[CH3:2] | 2 |
[2H]C(I)([2H])[2H].ClC1=CC=C2C(=N1)N(N=C2C2=C(C=CC=C2)O)COCC[Si](C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C2C(=N1)N(N=C2C2=C(C=CC=C2)OC([2H])([2H])[2H])COCC[Si](C)(C)C | 3 |
C1(=CC=CC=C1)CC#C.BrC1=C(N=NC(=C1)Cl)N>[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(C1=CC=CC=C1)C1=CC2=C(N=NC(=C2)Cl)N1 | 3 |
FC1=C(C=CC(=C1)[N+](=O)[O-])CCCC(=O)OC>>FC1=C(C=CC(=C1)[N+](=O)[O-])CCCC(=O)O | 5 |
NC=1SC2=C(N1)CCC(C2)NC(OC(C)(C)C)=O>CC#N.O.[Cu](Br)Br.N(=O)OCCC(C)C>C(C)(C)(C)OC(NC1CC2=C(N=C(S2)Br)CC1)=O | 3 |
CC=1C=C(C(=O)O)C=CN1>N(C)(C)C=O.Cl.CNOC.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>CON(C(C1=CC(=NC=C1)C)=O)C | 4 |
[S:1]1[C:5]([C:6]2[C:7]([O:16][CH3:17])=[C:8]([CH:11]=[CH:12][C:13]=2[O:14][CH3:15])[CH:9]=O)=[CH:4][C:3]2[CH:18]=[CH:19][CH:20]=[CH:21][C:2]1=2.[C:22]([C:25]1[CH:33]=[CH:32][C:28]([C:29]([OH:31])=[O:30])=[CH:27][CH:26]=1)(=[O:24])[CH3:23]>>[S:1]1[C:5]([C:6]2[C:7]([O:16][CH3:17])=[C:8](/[CH:9]=[CH:23]/[C:22]([C:25]3[CH... | 1 |
CO[C:3](=[O:19])[C:4]([S:15][CH2:16][CH2:17][CH3:18])=[CH:5][NH:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=1>C1(OC2C=CC=CC=2)C=CC=CC=1>[CH3:14][O:13][C:10]1[CH:11]=[C:12]2[C:7](=[CH:8][CH:9]=1)[N:6]=[CH:5][C:4]([S:15][CH2:16][CH2:17][CH3:18])=[C:3]2[OH:19] | 2 |
C(C1=CC=CC=C1)OCC1=NNC(N1CC)=O.BrC1=C(C=C2C(C=CN(C2=C1)C(C)C)=O)F>[Cu]I.O1CCOCC1.[I-].[K+].C(=O)([O-])[O-].[Cs+].[Cs+].CN([C@H]1[C@@H](CCCC1)N)C>C(C1=CC=CC=C1)OCC1=NN(C(N1CC)=O)C1=C(C=C2C(C=CN(C2=C1)C(C)C)=O)F | 3 |
FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)I.FC1=CC=C2C(=CN(C2=C1)S(=O)(=O)C1=CC=CC=C1)C1=CC2=C(N(C=N2)CCC(=O)N)C=C1>>FC1=CC=C2C(=CNC2=C1)C1=CC2=C(N(C=N2)CCC(=O)N)C=C1 | 3 |
CI.BrC1=CC=2NC(=C(C2S1)C=O)C(=O)OCC>N(C)(C)C=O.[H-].[Na+]>BrC1=CC=2N(C(=C(C2S1)C=O)C(=O)OCC)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:22][OH:23])[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]1[N:12]=[C:13]([N:16]2[CH2:21][CH2:20][O:19][CH2:18][CH2:17]2)[S:14][CH:15]=1.O[C:25]1[C:29]([CH:30]=[O:31])=[CH:28][N:27]([C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[N:26]=1.C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCC... | 1 |
C(OC(N1CC2C([CH2:11][N:12]([CH2:16][C:17]3[S:18][C:19]4[N:20]=[C:21]([Cl:32])[N:22]=[C:23]([N:26]5[CH2:31][CH2:30][O:29][CH2:28][CH2:27]5)[C:24]=4[N:25]=3)[CH2:13]2)C1)=O)(C)(C)C.[CH3:33][C@H:34]1CN[CH2:37][C@@H:36](C)[NH:35]1>>[Cl:32][C:21]1[N:22]=[C:23]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[C:24]2[N:25]=[C:... | 1 |
C(\C=C\C(=O)O)(=O)O.S1C2=C(C=C1)C=C(C=C2)C2CN(CC1=CC(=CC=C21)OC)C>ClCCl.O=S(=O)(O)C.[OH-].[Na+]>S1C2=C(C=C1)C=C(C=C2)C2CN(CC1=CC(=CC=C21)OC)C | 3 |
C(C)(C)(C)[Si](OCCCCO)(C1=CC=CC=C1)C1=CC=CC=C1>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCCC=O | 5 |
CN(C)C=C1C(CCCC1=O)=O.C(C)(C)(C)[Si](OCCC(=N)N)(C1=CC=CC=C1)C1=CC=CC=C1>>C(C)(C)(C)[Si](OCCC1=NC=2CCCC(C2C=N1)=O)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
BrC1(C(N(C2=NC=CC=C21)C=2C=NC=CC2)=O)Br>CCO[H].[HH].[Pd]>N1=CC(=CC=C1)N1C(CC=2C1=NC=CC2)=O | 3 |
[OH-].[Na+].[CH3:3][N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:6]=[C:5]1[S:13][CH2:14][CH2:15][CH2:16][C:17]([O:19]CC)=[O:18]>C(O)C>[CH3:3][N:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:6]=[C:5]1[S:13][CH2:14][CH2:15][CH2:16][C:17]([OH:19])=[O:18] | 1 |
FC1=CC=C(COC2=CC(N(C=C2)C2=CC=C(C=C2)OCCN=[N+]=[N-])=O)C=C1>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>FC1=CC=C(COC2=CC(N(C=C2)C2=CC=C(C=C2)OCCN)=O)C=C1 | 3 |
C([Li])CCC.[F:6][C:7]1[CH:12]=[CH:11][C:10]([F:13])=[CH:9][C:8]=1[O:14][CH3:15].Br[Si:17]([CH3:20])([CH3:19])[CH3:18].[Na]>C1COCC1.C(OCC)(=O)C.O>[F:6][C:7]1[C:8]([O:14][CH3:15])=[C:9]([Si:17]([CH3:20])([CH3:19])[CH3:18])[C:10]([F:13])=[CH:11][CH:12]=1 | 2 |
ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC(O)C=2SC=C(N2)CC(=O)OCC)C2=C(C(=CC=C2)OC)OC)C1>C1CCCO1.[O-2].[O-2].[Mn+4]>ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC(=O)C=2SC=C(N2)CC(=O)OCC)C2=C(C(=CC=C2)OC)OC)C1 | 3 |
[OH:1][CH:2]([C:20]1[CH:25]=[CH:24][C:23]([O:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)=[CH:22][CH:21]=1)[CH:3]([CH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][CH:11]=1)[C:4]([O:6]CC)=[O:5].[OH-].[Na+].Cl>CO>[OH:1][CH:2]([C:20]1[CH:21]=[CH:22][C:23]([O:26][C:27]2[CH:28]=[CH:29][CH:30]=... | 1 |
Cl.[Cl:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[NH:8][C:7]([C:12]([NH:14][C@@H:15]1[CH2:20][CH2:19][CH2:18][CH2:17][C@@H:16]1[NH:21][C:22]([C:24]1[S:32][C:31]3[CH2:30][CH2:29][NH:28][CH2:27][C:26]=3[CH:25]=1)=[O:23])=[O:13])=[CH:6]2.C=O.[C:35](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[OH-].[Na+]>ClCCl.Cl.O.C(O)(=O)C.C(N... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.FC=1C=C(C=CC1)C(C)N>C1CCCO1.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(NC(C)C1=CC(=CC=C1)F)=O | 3 |
C(C)(C)(C)[Si](C)(C)Cl.BrC1=C(C=C(OC2=C(C#N)C=CC(=N2)N(C)CCO)C=C1)C=O>>BrC1=C(C=C(OC2=C(C#N)C=CC(=N2)NCCO[Si](C)(C)C(C)(C)C)C=C1)C=O | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1CCC(CC1)N1N=CC(=C1)CC=1C=2C3=C(C(NC3=CC1)=O)C=CC2>ClCCl.CCN(CC)CC>O=C1NC2=CC=C(C=3C2=C1C=CC3)CC=3C=NN(C3)C3CCN(CC3)C(=O)OC(C)(C)C | 3 |
N1CCC1.[Na+].C(N)(=O)C1=C(C=NN1C)C(=O)[O-]>C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>N1(CCC1)C(=O)C=1C=NN(C1C(=O)N)C | 3 |
C(C1=CC=CC=C1)(=O)OC1(CC1)CO.ClC1=C2C(=CNC2=CC=C1)C(=O)NCC1CCC(CC1)(F)F>C1(=CC=CC=C1)C.C(#N)C=P(CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)(=O)OC1(CC1)CN1C=C(C2=C(C=CC=C12)Cl)C(NCC1CCC(CC1)(F)F)=O | 3 |
NC1=C(N=CC(=N1)N1CCC2(CC[C@@H]2N[S@](=O)C(C)(C)C)CC1)SC1=C(C(=NC=C1)Cl)Cl>CO[H].ClCCl.Cl>NC1=C(N=CC(=N1)N1CCC2(CC[C@@H]2N)CC1)SC1=C(C(=NC=C1)Cl)Cl | 3 |
FC(C(=O)C1=CC=CC=C1)(F)F.NC1=NC=CC(=C1)C(=O)OC>ClS(Cl)=O.c1ccncc1>FC(\C(\C1=CC=CC=C1)=N/C=1C=C(C(=O)OC)C=CN1)(F)F | 3 |
S(C#N)C(C(C)=O)CCCl>O.P(O)(O)(O)=O>OC=1SC(=C(N1)C)CCCl | 3 |
B(Br)(Br)Br.[Cl:5][C:6]1[CH:7]=[CH:8][C:9]([O:18]C)=[C:10]([C:12]2[CH:17]=[CH:16][N:15]=[CH:14][CH:13]=2)[CH:11]=1.CCOC(C)=O>C(Cl)Cl>[Cl:5][C:6]1[CH:7]=[CH:8][C:9]([OH:18])=[C:10]([C:12]2[CH:13]=[CH:14][N:15]=[CH:16][CH:17]=2)[CH:11]=1 | 2 |
NC1=C(C(=O)O)C=C(C=C1)Br>N(C)(C)C=O.O.C(C)(=O)O.C(#N)[BH3-].[Na+]>BrC=1C=CC(=C(C(=O)O)C1)NC | 3 |
C12(CC3CC(CC(C1)C3)C2)CN.N1=C(N=CC=C1)N1C=C(C2=CC=CC=C12)C(=O)O>>C12(CC3CC(CC(C1)C3)C2)CNC(=O)C2=CN(C3=CC=CC=C23)C2=NC=CC=N2 | 5 |
[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[C:8](I)[C:7]([CH:11]([F:13])[F:12])=[CH:6][C:5]=1[NH2:14].[CH2:16]([N:18]1[C:22]([Sn](CCCC)(CCCC)CCCC)=[CH:21][CH:20]=[N:19]1)[CH3:17]>O1CCOCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[... | 2 |
C(CO)O.CS(=O)(=O)OCC=1C=CC=2N(C1)C(=CN2)C(NC2=C(C=CC(=C2)C2=NOC(=N2)C2CC(C2)(F)F)C)=O>>FC1(CC(C1)C1=NC(=NO1)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=C(C=C2)OCCO)C)F | 5 |
C(=O)(OC(C)(C)C)NC1=C(C(=O)O)C=C(C=C1)C(F)(F)F>>C(C)(C)OC(=O)NC1=C(C(=O)O)C=C(C=C1)C(F)(F)F | 5 |
CC1=NC=CC(=C1)B1OC(C(O1)(C)C)(C)C.NCC=1C=NC(=NC1)Cl>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC1=NC=CC(=C1)C1=NC=C(C=N1)CN | 3 |
Cl[CH2:2][CH2:3][CH2:4][C:5](Cl)=[O:6].Cl.[NH2:9][CH:10]([C:23]1[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=1)[CH:11]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[N:21]=[CH:20][CH:19]=[CH:18]2)[OH:12].C(N(CC)CC)C.[OH-].[Na+].[I-].[K+].P([O-])(O)(O)=O.[Na+]>CN(C=O)C>[F:29][C:26]1[CH:25]=[CH:24][C:23]([CH:10]([N:9]2[CH... | 1 |
B(Br)(Br)Br.[Cl:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[C:12]1[C:24]2[C:25](=[O:29])[NH:26][C:27](=[O:28])[C:23]=2[C:22]2[C:21]3[CH:20]=[C:19]([O:30]C)[CH:18]=[CH:17][C:16]=3[N:15]([CH2:32][CH2:33][CH2:34][OH:35])[C:14]=2[CH:13]=1.CO[C:38]1[CH:39]=[C:40]2[C:44](=[CH:45][CH:46]=1)[NH:43][C:42]([CH:47]=[CH:48][C:49]1... | 1 |
[Cl:1][C:2]1[C:3]([N:13]2[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]2)=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7]([O:9][CH2:10][CH3:11])=[O:8].[Br:19][C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([N:26]=[C:27]=[O:28])[CH:21]=1>>[Br:19][C:20]1[CH:21]=[C:22]([NH:26][C:27]([N:16]2[CH2:17][CH2:18][N:13]([C:3]3[C:2]([Cl:1])=[CH:12][C:6]([C:7]([O... | 2 |
N1C=C(C2=CC=CC=C12)CC1C(N(C2=C(N3C(=NN=C13)C1=CC=CC=C1)C=CC=C2)CC(=O)O)=O.ClC1=CC=C(C=N1)NC(C)C>C1=CC=CC=C1.P(Cl)(Cl)Cl>ClC1=CC=C(C=N1)N(C(CN1C2=C(N3C(=NN=C3C(C1=O)CC1=CNC3=CC=CC=C13)C1=CC=CC=C1)C=CC=C2)=O)C(C)C | 3 |
C(#N)C=1C(=NC(=C(C1)C(=O)OCC)C(F)F)N1CC(C1)C(=O)O.COC=1C=C(C=CC1)CS(=O)(=O)N>>C(#N)C=1C(=NC(=C(C(=O)OCC)C1)C(F)F)N1CC(C1)C(NS(=O)(=O)CC1=CC(=CC=C1)OC)=O | 5 |
ClC1=CC(=C(C(=C1)C)B(O)O)O.BrC1=CC=C2C(=N1)N=C(O2)N[C@H]2CN(CCC2)CCCO>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>ClC=1C=C(C(=C(C1)O)C1=CC=C2C(=N1)N=C(O2)N[C@H]2CN(CCC2)CCCO)C | 3 |
C([O-])(O)=O.[Cs+].CC1(OC[C@@H](O1)COS(=O)(=O)C1=CC=C(C=C1)C)C.CC1(OB(OC1(C)C)C=1C=NNC1)C>>CC1(OC[C@@H](O1)CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C)C | 5 |
ClC1=NC=NC2=CC=CC=C12.C(C)(C)(C)OC(NC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1)=O>>C(C)(C)(C)OC(NC1CN(C1)C1=NC=NC2=CC=CC=C12)=O | 5 |
CC(=CC(=O)OC)C.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C(C#N)O[Si](C)(C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C(C)(C)[N-]C(C)C.[Li+]>C(C)OC(CC(C(=O)C1=CC=C(C=C1)OCC1=CC=CC=C1)(C)C)=O | 3 |
C(C)(C)C=1N=C2N(C=C(C(=C2)C#N)C)C1>N(C)(C)C=O.IN1C(CCC1=O)=O>IC1=C(N=C2N1C=C(C(=C2)C#N)C)C(C)C | 3 |
COC1=C(SC=C1)C(=O)OC>C1CCCO1.[OH-].[Na+]>COC1=C(SC=C1)C(=O)O | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[C:4]([CH3:10])[CH:3]=1.[N+:11]([O-])([OH:13])=[O:12].OS(O)(=O)=O>>[N+:11]([C:6]1[CH:7]=[C:2]([Cl:1])[CH:3]=[C:4]([CH3:10])[C:5]=1[O:8][CH3:9])([O-:13])=[O:12] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[N:3][C:2]=1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][OH:13].[Br:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]Br.[OH-].[Na+]>O.CCOCC>[Br:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][C:2]1[N:3]=[CH:4][CH:5]=[CH:6][N:1]=1 | 1 |
C[O:2][C:3](=[O:29])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][N:11]1[C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=2[N:13]([CH2:20][C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=2)[C:12]1=[O:28].[OH-].[Na+]>>[F:27][C:24]1[CH:23]=[CH:22][C:21]([CH2:20][N:13]2[C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[N:11]... | 1 |
CC(C#C)=O.CC=1OC=CC1>CC#N.O.[O-]S(=O)(=O)C(F)(F)F.[Sc+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F>OC=1C=CC(=C(C1)C(C)=O)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([C:19]([F:22])([F:21])[F:20])[CH2:13][C:12]3[CH:14]=[C:15](I)[CH:16]=[CH:17][C:11]=3[O:10]2)[CH:5]=[C:6]([Cl:8])[CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[F:29][C:30]1[C:35]([N+:36]([O-:38])=[O:37])=[CH:34][CH:33]=[CH:32][C:31]=1B1OC(C)(C)C(C)(C)O1>COCCOC.O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC... | 2 |
C(C)(C)(C)C1=CC=C(C=O)C=C1.FC=1C=C(C=C(C1)F)CCN>>C(C)(C)(C)C1=CC=C(CNCCC2=CC(=CC(=C2)F)F)C=C1 | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([CH3:8])[CH:3]=1.[Cl:9][C:10]1[CH:19]=[CH:18][C:13]([C:14](OC)=[O:15])=[CH:12][CH:11]=1.[Li+].C[Si]([N-][Si](C)(C)C)(C)C>C1COCC1>[Cl:9][C:10]1[CH:19]=[CH:18][C:13]([C:14](=[O:15])[CH2:8][C:4]2[CH:3]=[C:2]([Cl:1])[CH:7]=[CH:6][N:5]=2)=[CH:12][CH:11]=1 | 1 |
[Cl:1][C:2]1[CH:20]=[C:19]([Cl:21])[CH:18]=[CH:17][C:3]=1[O:4][C:5]1[CH:16]=[CH:15][C:8]([O:9][CH:10]([CH3:14])[C:11](Cl)=[O:12])=[CH:7][CH:6]=1.[N:22]1([CH2:27][CH2:28][OH:29])[CH2:26][CH2:25][CH2:24][CH2:23]1>C1(C)C=CC=CC=1>[ClH:1].[N:22]1([CH2:27][CH2:28][O:29][C:11](=[O:12])[CH:10]([O:9][C:8]2[CH:15]=[CH:16][C:5]([... | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[C:22]3[S:21][C:20]([NH:23][C:24]([C:26]4[CH:31]=[CH:30][N:29]=[C:28]([CH3:32])[CH:27]=4)=[O:25])=[N:19][C:18]=3[C:17]([O:33][CH3:34])=[CH:16][CH:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C1COCC1>CO.[Pd]>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([C... | 1 |
[CH3:1][C:2]1[CH:6]=[C:5]([CH3:7])[NH:4][N:3]=1.C([O-])([O-])=O.[K+].[K+].Br[CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17]>CC(C)=O>[CH3:1][C:2]1[CH:6]=[C:5]([CH3:7])[N:4]([CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17])[N:3]=1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1(C=CN2N=CC=C21)CC2=CC=C(C=C2)C(N)=N>O.C(C)(=O)OCC.O1CCOCC1.C(O)([O-])=O.[Na+]>N1(C=CN2N=CC=C21)CC2=CC=C(C=C2)C(=N)NC(OC(C)(C)C)=O | 3 |
N1C(=CC=C1)C(=O)OC.C(F)(F)I>>FC(N1C(=CC=C1)C(=O)OC)F | 5 |
C(C)N.FC1=NC(=CC=C1[N+](=O)[O-])C>O.C1CCCO1.CN1C(CCC1)=O>C(C)NC1=NC(=CC=C1[N+](=O)[O-])C | 3 |
[CH:1]([C@H:4]1[CH2:8][O:7][C:6](=[O:9])[N:5]1[C:10]1[CH:15]=[CH:14][N:13]2[N:16]=[CH:17][C:18]([C:19]3[CH:24]=[CH:23][C:22]([C:25]4[N:26](COCC[Si](C)(C)C)[CH:27]=[CH:28][N:29]=4)=[CH:21][CH:20]=3)=[C:12]2[N:11]=1)([CH3:3])[CH3:2].FC(F)(F)C(O)=O>ClCCl>[NH:26]1[CH:27]=[CH:28][N:29]=[C:25]1[C:22]1[CH:23]=[CH:24][C:19]([C... | 1 |
O=C1NOC(=C1)[C@H]1C[C@H](N(CC1)C(=O)OC)CC1=CC(=CC=C1)C(F)(F)F>>FC(C=1C=C(C[C@H]2NCC[C@H](C2)C2=CC(NO2)=O)C=CC1)(F)F | 5 |
[CH:1]1([NH:4][C:5]([C:7]2[CH:12]=[CH:11][C:10]([C:13]3[CH:18]=[CH:17][C:16]([CH2:19][C@H:20]([NH:35][C:36]([C@H:38]4[CH2:43][CH2:42][C@H:41]([CH2:44][NH:45]C(=O)OC(C)(C)C)[CH2:40][CH2:39]4)=[O:37])[C:21](=[O:34])[NH:22][C:23]4[CH:28]=[CH:27][C:26]([C:29]5[NH:33][N:32]=[N:31][N:30]=5)=[CH:25][CH:24]=4)=[CH:15][CH:14]=3... | 2 |
CN(C(=O)C1CC1)OC.BrC=1N=C2N(N1)[C@@H](C[C@H]2O[Si](C)(C)C(C)(C)C)C2=NC=CC=C2Cl>O.C1CCCO1>[Si](C)(C)(C(C)(C)C)O[C@@H]1C[C@H](N2N=C(N=C21)C(=O)C2CC2)C2=NC=CC=C2Cl | 3 |
C(C)(C)(C)OC(=O)N1CC(CC1)N(C(C)=O)C>>C(C)(=O)N(C)C1CNCC1 | 5 |
C1(=CC=C(C=C1)S(=O)(=O)OCCC1CCN(CC1)C(=O)OC(C)(C)C)C>>C(C)(C)(C)OC(=O)N1CCC(CC1)CCN1CCCCC1 | 5 |
[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[CH:7][CH:6]=[CH:5][C:4]=1[SH:11].[CH3:12][O:13]C1C(OC)=C(OC)C=CC=1>>[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[C:7]([O:13][CH3:12])[CH:6]=[CH:5][C:4]=1[SH:11] | 2 |
C[C@@H]1N(CCCC1)C1=C(C=C(C#N)C=C1)C(F)(F)F>O.CO[H].[OH-].[Na+]>C[C@@H]1N(CCCC1)C1=C(C=C(C(=O)O)C=C1)C(F)(F)F | 3 |
C(C)(=O)NCCN.C(C)C1=CC(=C(OC2=C(C=C(C=C2)S(=O)(=O)Cl)F)C=C1)OC>>C(C)C1=CC(=C(OC2=C(C=C(C=C2)S(=O)(=O)NCCNC(C)=O)F)C=C1)OC | 5 |
[F:1][C:2]1[C:15]([N:16]=[C:17]=[O:18])=[CH:14][C:5]2[N:6]([CH2:11][C:12]#[CH:13])[C:7](=[O:10])[CH2:8][O:9][C:4]=2[CH:3]=1.[OH:19][CH:20]([C:25]([CH3:27])=[CH2:26])[C:21]([O:23]C)=O.C1CCN2C(=NCCC2)CC1.O>C1C=CC=CC=1>[F:1][C:2]1[C:15]([N:16]2[C:21](=[O:23])[C:20](=[C:25]([CH3:27])[CH3:26])[O:19][C:17]2=[O:18])=[CH:14][C... | 1 |
ClC1=NC=C(C(=N1)N(C)[C@@H](CC1CC1)CO)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Cl-].[NH4+].N(=NC(=O)OC(C)C)C(=O)OC(C)C>ClC=1N=CC=2OC[C@@H](N(C2N1)C)CC1CC1 | 3 |
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