smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Br:1][C:2]1[N:7]=[C:6]([CH:8]([N:28]2C(=O)C3C(=CC=CC=3)C2=O)[CH2:9][C:10]2[CH:18]=[C:17]([CH3:19])[C:16]3[C:12](=[CH:13][N:14]([CH2:20][O:21][CH2:22][CH2:23][Si:24]([CH3:27])([CH3:26])[CH3:25])[N:15]=3)[CH:11]=2)[CH:5]=[CH:4][CH:3]=1.NN>CO>[Br:1][C:2]1[N:7]=[C:6]([CH:8]([NH2:28])[CH2:9][C:10]2[CH:18]=[C:17]([CH3:19])[... | 1 |
[N+](=O)([O-])C1=CC=C2CCNC(C2=C1)=O.IC=1C=NC=CC1C>>CC1=C(C=NC=C1)N1C(C2=CC(=CC=C2C=C1)[N+](=O)[O-])=O | 5 |
[C:1]([O:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12]OS(C2C=CC(C)=CC=2)(=O)=O)=[CH:7][C:6]=1[O:24][CH3:25])(=[O:3])[CH3:2].C(OC1C=CC(CCO)=CC=1OC)(=O)C.[I-:41].[Na+]>CC(C)=O>[C:1]([O:4][C:5]1[CH:10]=[CH:9][C:8]([CH2:11][CH2:12][I:41])=[CH:7][C:6]=1[O:24][CH3:25])(=[O:3])[CH3:2] | 1 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.O[C@H]1[C@H](C(N[C@H](C(N[C@H](C(N2CCC[C@@H](C(N[C@@H](C3=CC=CC(/C=C/CC1)=C3)C)=O)N2)=O)C)=O)C(C)C)=O)C>>C(C)(C)[C@H]1C(N[C@H](C(N2CCC[C@@H](C(N[C@@H](C3=CC=CC(/C=C/CC[C@H]([C@H](C(N1)=O)C)OCC(F)(F)F)=C3)C)=O)N2)=O)C)=O | 5 |
C(C)(C)(C)OC(=O)C=1C=C(N2C=CC=CC12)C(=O)OCC1=CC=CC=C1>ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)OC(=O)C1=CC(=C2C=CC=CN12)C(=O)O | 3 |
ClC1=NN(C(=C1)C1=NC2=C(C(O1)=O)C=C(C=C2C)C#N)C2=NC=CC=C2Cl>>ClC1=NN(C(=C1)C(=O)NC1=C(C=C(C=C1C(=O)N)C#N)C)C1=NC=CC=C1Cl | 5 |
N1(CCOCC1)C(=O)C=1C=C(C=CC1)B(O)O.BrC=1C=C2C(=NC1)C=CN2OC(C)C2=C(C(=CC=C2Cl)F)Cl>>ClC1=C(C(=CC=C1F)Cl)C(C)ON1C=CC2=NC=C(C=C21)C=2C=C(C=CC2)C(=O)N2CCOCC2 | 5 |
[N+:1]([C:4]1[CH:9]=[C:8]([C:10]([F:13])([F:12])[F:11])[CH:7]=[CH:6][C:5]=1[NH:14][N:15]=[C:16](Br)[C:17]([CH3:20])([CH3:19])[CH3:18])([O-:3])=[O:2].[CH2:22]([N:24]([CH2:27][CH3:28])[C:25]#[N:26])[CH3:23].C(N(CC)CC)C>C1(C)C=CC=CC=1>[CH2:22]([N:24]([C:25]1[N:14]([C:5]2[CH:6]=[CH:7][C:8]([C:10]([F:13])([F:12])[F:11])=[CH... | 1 |
N1=C(N=CC=C1)NCCCOC1=CC2=C(CC(C(NC2)=O)CC(=O)OC)C=C1>CO[H].Cl.[HH].[Pd].O1CCOCC1>N1C(=NCCC1)NCCCOC1=CC2=C(CC(C(NC2)=O)CC(=O)O)C=C1 | 3 |
[OH2:1].Cl.[NH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([S:11]([NH2:14])(=[O:13])=[O:12])=[CH:7][CH:6]=1.C[N:16]([Si](C)(C)C)[C:17](=O)[CH3:18].[C:24](Cl)(=[O:42])[C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[S:31][S:32][C:33]1[CH:41]=[CH:40][CH:39]=[CH:38][C:34]=1[C:35](Cl)=[O:36]>N1C=CC=CC=1.ClCCl>[NH2:14][S:11]([C:8]1[CH... | 1 |
C(#N)C=1C=CC2=C(C=C(O2)C(=O)NC(C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)C1>CO[H].Cl.[HH].[Pd]>NCC=1C=CC2=C(C=C(O2)C(=O)NC(C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)C1 | 3 |
C1COC2(CCC(CC2)=O)O1.C[Si](C=1SC=CN1)(C)C>C1CCCO1.C(CCC)[Li].[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>S1C=NC=C1C1(CCC2(OCCO2)CC1)O | 3 |
[C:1]12([CH2:11][C:12]([OH:14])=O)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.CCN=C=NCCCN(C)C.Cl.C(N(CC)CC)C.[CH3:34][NH:35][CH2:36][C:37]1[S:38][CH:39]=[CH:40][CH:41]=1>C(Cl)Cl.CN(C1C=CN=CC=1)C>[C:1]12([CH2:11][C:12]([N:35]([CH3:34])[CH2:36][C:37]3[S:38][CH:39]=[CH:40][CH:41]=3)=[O:14])[CH2:1... | 2 |
BrC1=CC(=C(C(=O)OC)C=C1)OC.C(#N)C1=C(C=CC=C1)B(O)O>>C(#N)C1=C(C=CC=C1)C1=CC(=C(C=C1)C(=O)OC)OC | 5 |
NC1=C(C(=O)O)C=CC=N1.FC=1C=C(CN)C=C(C1)F>>FC=1C=C(C=C(C1)F)CNC(C1=C(N=CC=C1)N)=O | 5 |
C(C)OC(C(CC1=CC=C(C=C1)O)OCC)=O.C1=CC=CC=2OC3=CC=CC=C3C(C12)CCO>>C(C)OC(C(=O)OCC)CC1=CC=C(C=C1)OCCC1C2=CC=CC=C2OC=2C=CC=CC12 | 5 |
C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[C:21]([C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([C:28]([F:31])([F:30])[F:29])[CH:23]=3)=[CH:20][C:19]([CH3:32])=[C:18]([C:33]([N:35]3[CH2:40][CH2:39][CH:38]([N:41]4[CH2:45][CH2:44][CH2:43][CH2:42]4)[CH2:37][CH2:36]3)=[O:34])[N:17]=2)=[O:15])[CH2:10][CH2:9]1)=O)(C)(C)C.Cl.O1CC... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([NH:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:9]([OH:11])=[O:10])=[CH:4][CH:3]=1.[ClH:20].[CH3:21]O>>[ClH:20].[CH3:21][O:10][C:9](=[O:11])[CH:8]([NH:12][CH2:13][C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1)[C:5]1[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=1 | 1 |
COC1=NC=C(C(=O)N)C(=C1)C>>CN(C)C=NC(C1=CN=C(C=C1C)OC)=O | 5 |
NC1=C(C=C(C=C1)Cl)C(=O)C1=C(C=CC=C1)Cl.FB(F)F>ClCCl.[OH-].[Na+].C(C)[SiH](CC)CC>ClC1=CC(=C(C=C1)N)CC1=C(C=CC=C1)Cl | 3 |
I[C:2]1[C:3]2[S:10][CH:9]=[CH:8][C:4]=2[N:5]([CH3:7])[N:6]=1.C([Mg]Cl)(C)C.[CH2:16]([Sn:20]([CH2:26][CH2:27][CH2:28][CH3:29])([CH2:22][CH2:23][CH2:24][CH3:25])Cl)[CH2:17][CH2:18][CH3:19]>C1COCC1>[CH3:7][N:5]1[C:4]2[CH:8]=[CH:9][S:10][C:3]=2[C:2]([Sn:20]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29]... | 1 |
[OH-].[CH2:2]([N+:8]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].[CH3:27][O:28][C:29](=[O:32])[O:30]C.Cl.COC(=O)[O-]>CO.CC(O)C>[CH3:27][O:28][C:29](=[O:30])[O-:32].[CH2:21]([N+:8]([... | 1 |
C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.[CH:22]1([NH2:25])[CH2:24][CH2:23]1.[CH2:26]([O:28][C:29]([C:31]1[CH:32]=[C:33]2[CH:38]=[N:37][N:36]=[C:35]([NH:39][C:40]3[CH:45]=[C:44]([C:46](O)=[O:47])[CH:43]=[CH:42][C:41]=3[O:49][CH3:50])[N:34]2[C:51]=1[CH3:52])=[O:30])[CH3:27]>CN(C=O)C.O>[CH2:26]([O:28][C:29]([C:31]1[CH:32]=[C... | 1 |
COC(=O)C1=C(N(C2=NC=C(C=C21)Br)S(=O)(=O)C2=CC=CC=C2)CN(S(=O)(=O)C2=CC=C(C=C2)C)CC#N>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C1(=CC=CC=C1)S(=O)(=O)N1C2=C(C3=C1C=NC(=C3O)C#N)C=C(C=N2)Br | 3 |
C(C)(C)(C)OC(=O)N1CC2(C[C@H]1C(N[C@H](C(=O)OC)C[C@H]1C(NCC1)=O)=O)CCCC2>Cl>COC([C@H](C[C@H]1C(NCC1)=O)NC(=O)[C@H]1NCC2(C1)CCCC2)=O | 3 |
N1(CCOCC1)S(=O)(=O)Cl.CN(C=1C2=C(N=CN1)NC=C2)[C@H]2CNCC2>ClCCl.C(C)(C)N(C(C)C)CC>CN(C=1C2=C(N=CN1)NC=C2)[C@H]2CN(CC2)S(=O)(=O)N2CCOCC2 | 3 |
C1(CC1)C(=O)C(C1=C(C=CC=C1)F)Br.Cl.S1C(C=C2CNCCC21)=O>C([O-])([O-])=O.[K+].[K+]>Cl.C1(CC1)C(=O)C(C1=C(C=CC=C1)F)N1CC=2C(CC1)SC(C2)=O | 3 |
Cl.C(#N)C=1C=C(C(=O)NC=2C(=C3C(=NC2)N(C=C3C3CCNCC3)C)C)C=CC1.C[C@@H](C(=O)O)C(C)(C)C>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>C(#N)C=1C=C(C(=O)NC=2C(=C3C(=NC2)N(C=C3C3CCN(CC3)C([C@@H](C(C)(C)C)C)=O)C)C)C=CC1 | 3 |
C1N2CN3CN1CN(C2)C3.FC=1C=C(C=C2C(CC(N(C12)C)=O)(C)C)OC>>FC=1C(=C(C=C2C(CC(N(C12)C)=O)(C)C)OC)C=O | 5 |
FC1=NC=C(C=C1C1=NC(=NC(=N1)C)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)C(C)C1=CC=C(C=C1)SC>>FC1=NC=C(C=C1C1=NC(=NC(=N1)C)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)C(C)C1=CC=C(C=C1)S(=O)(=O)C | 5 |
C([N-]C(C)C)(C)C.[Li+].[CH:9]1([C:14]([OH:16])=[O:15])[CH2:13][CH2:12][CH2:11][CH2:10]1.Br[CH2:18][CH2:19][C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21].Cl>O1CCCC1.C(OCC)C>[C:23]([O:22][C:20](=[O:21])[CH2:19][CH2:18][C:9]1([C:14]([OH:16])=[O:15])[CH2:13][CH2:12][CH2:11][CH2:10]1)([CH3:26])([CH3:25])[CH3:24] | 1 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.ClC1=NC(=C(C(=N1)Cl)Cl)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].[F-].[K+]>ClC1=NC(=C(C(=N1)C(=C)OCC)Cl)C | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]([CH:11]([CH2:16][CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C:12]([O:14][CH3:15])=[O:13])=O.C([O-])(=O)C.[NH4+:28].C(O)(=O)C>C1(C)C=CC=CC=1>[NH2:28]/[C:9](/[C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=1[O:2][CH3:1])=[C:11](/[CH2:16][CH2:17][C:18]1[CH:23]=[CH... | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)(=O)O[C@@H]1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5(C([C@H]4CC[C@@H]3[C@]2(CC1)C)=C(C(C5)=O)C(C)C)C(CNC5(CC5)C5=NC=C(C=N5)Cl)O)C)C)(C)C>ClCCl>C(C)(=O)O[C@@H]1C([C@@H]2CC[C@]3([C@@]4(CC[C@@]5(C([C@H]4CC[C@@H]3[C@]2(CC1)C)=C(C(C5)=O)C(C)C)C5CN(C(O5)=O)C5(CC5)C5=NC=C(C=N5)Cl)C)C)(C)C | 3 |
[C:1]([O:5][C:6]([N:8]1[C@H:17]([C:18](O)=[O:19])[CH2:16][C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:21][C:22]1[CH:23]=[N:24][C:25]([CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[CH:26][CH:27]=1.Cl.CN(C)CCCN=C=NCC>C(Cl)(Cl)Cl.CN(C)C1C=CN=CC=1>[CH2:28]([C:25]1[N:24]=[CH:23][... | 1 |
C(C)OC(C(=CNC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)C#N)=O>>[N+](=O)([O-])C=1C=C2C(C(=CNC2=C(C1)C(F)(F)F)C#N)=O | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([NH2:23])=[C:6]2[C:10]=1[N:9]=[C:8]1[N:11]([C:15]3[CH:20]=[CH:19][C:18]([Cl:21])=[CH:17][C:16]=3[Cl:22])[CH2:12][CH2:13][CH2:14][N:7]21.C(O[C:27]1(O[Si](C)(C)C)[CH2:29][CH2:28]1)C.[C:35]([BH3-])#N.[Na+].[C:39](O)(=O)[CH3:40]>CO.C(OCC)(=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([N:23]([CH:27]2[CH... | 1 |
ClC=1C=C(C=2CC(N(CC2C1)CC)=O)C=O>ClCCl.CC(C)(C)[S@](=O)N.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>ClC1=CC(=C2CC(N(CC2=C1)CC)=O)C=N[S@@](=O)C(C)(C)C | 3 |
[F:1][C:2]([F:35])([CH2:27][O:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)[CH2:3][CH2:4][C@H:5]1[C@H:9]([O:10][CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][O:12]2)[CH2:8][C@H:7]([OH:17])[C@@H:6]1[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][C:24]([OH:26])=[O:25].C1C=C[NH+]=CC=1.[O-][Cr](Cl)(=O)=O>C(Cl)Cl>[F:35][C:... | 1 |
FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC(=C2)/C=N/O)CC)=O>Cl.[Zn].C(C)(=O)O.C(O)([O-])=O.[Na+]>NCC1=CC=2N(C(N(CC2C=N1)C1=C(C(=CC(=C1F)OC)OC)F)=O)CC | 3 |
BrC=1C=NC=C(C(=O)O)C1>C1CCCO1.[Na+].[BH4-].CN1CCOCC1.ClC(=O)OCC>BrC=1C=C(C=NC1)CO | 3 |
FC1=CC=C(C=C1)C=1C(=C2N(N1)C(CC2)C)C(=O)OC>CO[H].[OH-].[Na+]>FC1=CC=C(C=C1)C=1C(=C2N(N1)C(CC2)C)C(=O)O | 3 |
[CH3:1][C:2]([C:16]1[CH:21]=[CH:20][C:19]([C:22]2[N:26]=[CH:25][N:24]([C:27]3[CH:32]=[CH:31][C:30]([O:33][C:34]([F:37])([F:36])[F:35])=[CH:29][CH:28]=3)[N:23]=2)=[CH:18][CH:17]=1)([CH3:15])[CH2:3][NH:4]C(=O)OCC1C=CC=CC=1>CO>[CH3:15][C:2]([C:16]1[CH:21]=[CH:20][C:19]([C:22]2[N:26]=[CH:25][N:24]([C:27]3[CH:32]=[CH:31][C:... | 1 |
C(C)(C)(C)C=1C=C(N(N1)C1=CC=C(C=C1)C)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2CCC(CC2)CO[Si](C(C)C)(C(C)C)C(C)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)(C)(C)C=1C=C(N(N1)C1=CC=C(C=C1)C)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2CCC(CC2)CO | 3 |
[C:1]1(O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Na+].[Br:10][C:11]1[C:19]2[N:18]=[C:17]([C:20]3[CH:25]=[CH:24][C:23]([CH:26]([CH3:28])[CH3:27])=[CH:22][CH:21]=3)[N:16]([CH2:29][CH2:30][O:31][CH3:32])[C:15]=2[C:14]([O:33][CH3:34])=[CH:13][C:12]=1[CH2:35][O:36]S(C)(=O)=O>CN(C=O)C>[Br:10][C:11]1[C:19]2[N:18]=[C:17]([C:2... | 1 |
[NH2:1][C:2]1[N:7]2[N:8]=[CH:9][C:10]([C:11]3[CH:12]=[N:13][C:14]([C:17]4[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=4)=[CH:15][CH:16]=3)=[C:6]2[N:5]=[C:4]([CH:23]2[CH2:28][CH2:27][CH:26]([CH2:29][C:30]3[O:34][C:33](=[O:35])[NH:32][N:31]=3)[CH2:25][CH2:24]2)[CH:3]=1.FC(F)(F)C([O-])=O.[Br:43]N1C(=O)CCC1=O>CC#N>[NH2:1][C:2]1[N... | 1 |
ClC=1C=C2N=C3C=CC(=CC3=C(C2=CC1)Cl)OC.CC(C)(C#C)O>>CC(C)(C#CC=1C2=CC=C(C=C2N=C2C=CC(=CC12)OC)Cl)O | 5 |
N1C(CNCC1)=O.CS(=O)(=O)OC1CCC(CC1)S(=O)(=O)C1=CC(=CC=C1)C(F)(F)F>N(C)(C)C=O>FC(C=1C=C(C=CC1)S(=O)(=O)C1CCC(CC1)N1CC(NCC1)=O)(F)F | 3 |
[NH2:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[N:9]1[C:13](=[O:14])[C:12]2=[CH:15][CH:16]=[CH:17][CH:18]=[C:11]2[C:10]1=[O:19].C(N(CC)CC)C.[CH:27]1[C:36]2[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=2)[CH:30]=[CH:29][C:28]=1[C:37](Cl)=[O:38].O>O1CCCC1>[Cl:8][C:6]1[CH:5]=[CH:4][C:3]([N:9]2[C:13](=[O:14])[C:12]3=[CH:15][... | 1 |
COC1=CC(=CC=C1)C(COCOC)(C)C>ClCCl.[Ti](Cl)(Cl)(Cl)Cl>COC=1C=C2C(COCC2=CC1)(C)C | 3 |
[CH2:1]([O:3][C:4](=[O:13])[CH2:5][NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[CH3:2].[Cl:14][CH2:15][C:16](Cl)=[O:17]>>[CH2:1]([O:3][C:4](=[O:13])[CH2:5][N:6]([C:16](=[O:17])[CH2:15][Cl:14])[C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[CH3:2] | 2 |
C(C)[Zn]CC.BrC=1C=CC(=NC1)C(=C)O[Si](C)(C)C(C)(C)C>ClCCl.ClCI>BrC=1C=CC(=NC1)C1(CC1)O[Si](C)(C)C(C)(C)C | 3 |
[CH:1]([NH:4][CH:5]1[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1)([CH3:3])[CH3:2].C(N(CC)CC)C.[C:18]([O:21][CH2:22][C:23](Cl)=[O:24])(=[O:20])[CH3:19]>ClCCl>[C:18]([O:21][CH2:22][C:23]([N:4]([CH:5]1[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1)[CH:1]([CH3:3])[CH3:2])=[O:24])(=[O:20])[CH3:19] | 1 |
C(C)(=O)OC1=CC=C(C(=O)NC=2C=C(C=CC2)N2C3=C(N=C(C2=O)CC2=CC=CC=C2)C=CC=N3)C=C1>O.CO[H].C([O-])([O-])=O.[K+].[K+].O1CCOCC1>C(C1=CC=CC=C1)C1=NC2=C(N(C1=O)C1=CC(=CC=C1)NC(C1=CC=C(C=C1)O)=O)N=CC=C2 | 3 |
[N+](=O)([O-])C1=CC=C(CN2CCC(CC2)N)C=C1.ClC1=NC=CC(=N1)N1C(OC[C@@H]1C(C)C)=O>O.CS(=O)C>C(C)(C)C1N(C(OC1)=O)C1=NC(=NC=C1)NC1CCN(CC1)CC1=CC=C(C=C1)[N+](=O)[O-] | 3 |
[Cl-].O[NH3+:3].[C:4](=[O:7])([O-])[OH:5].[Na+].CS(C)=O.[OH:13][C:14]([C:17]1([O:20][C@H:21]2[CH2:26][CH2:25][C@H:24]([N:27]3[C:32](=[O:33])[C:31]([CH2:34][C:35]4[CH:40]=[CH:39][C:38]([C:41]5[C:42]([C:47]#[N:48])=[CH:43][CH:44]=[CH:45][CH:46]=5)=[CH:37][CH:36]=4)=[C:30]([CH2:49][CH2:50][CH3:51])[N:29]4[N:52]=[CH:53][N:... | 1 |
S1C(=NCC12CCSCC2)C=2NC1=C(C=C(C=C1C2)OCCOC)N(S(=O)(=O)C2=NC=CC=C2)C>>COCCOC=1C=C2C=C(NC2=C(C1)N(S(=O)(=O)C1=NC=CC=C1)C)C=1SC2(CN1)CCS(CC2)=O | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1NC(C=C1)=O>O.ClCCl.CCN(CC)CC>OC1=NN(C=C1)C(=O)OC(C)(C)C | 3 |
[N+](=O)([O-])C1=CC=C(C(=O)NC2=C(CNC(OC(C)(C)C)=O)C=CC=C2)C=C1>ClCCl.Cl.C(C)(=O)OCC>NCC1=C(C=CC=C1)NC(C1=CC=C(C=C1)[N+](=O)[O-])=O | 3 |
BrCCCOC1=CC=C(CNC2=CC(=NC(=N2)OCC(F)(F)F)NC2=CC=C(C(=O)OC(C)(C)C)C=C2)C=C1>Cl.O1CCOCC1>BrCCCOC1=CC=C(CNC2=CC(=NC(=N2)OCC(F)(F)F)NC2=CC=C(C(=O)O)C=C2)C=C1 | 3 |
BrC=1C(=C2CC[C@@H](N(C2=CC1)C(=O)C1CC1)C)OC1=C(C=C(C(=C1)F)[N+](=O)[O-])F.BrC=1C(=C2CC[C@@H](N(C2=CC1)C(=O)C1CC1)C)OC1=C(C=C(C(=C1)F)F)[N+](=O)[O-]>O.C1CCCO1.[Fe].CCO[H].[Cl-].[NH4+]>NC1=CC(=C(OC2=C3CC[C@@H](N(C3=CC=C2Br)C(=O)C2CC2)C)C=C1F)F.NC1=C(OC2=C3CC[C@@H](N(C3=CC=C2Br)C(=O)C2CC2)C)C=C(C(=C1)F)F | 3 |
COC1CNCCC1(OC)OC>ClCCl.CCN(CC)CC.ClC(=O)OCC>COC1CN(CCC1(OC)OC)C(=O)OCC | 3 |
[N+:1]([C:4]1[C:9]([CH3:10])=[CH:8][CH:7]=[C:6]([N+:11]([O-])=O)[C:5]=1[CH3:14])([O-:3])=[O:2].C(O)=O>[Pd].C(N(CC)CC)C.C(OCC)(=O)C>[CH3:14][C:5]1[C:4]([N+:1]([O-:3])=[O:2])=[C:9]([CH3:10])[CH:8]=[CH:7][C:6]=1[NH2:11] | 1 |
C(C)OC(=O)C1=CNC2=CC(=C(C=C2C1=O)C(CCC)=O)C>CCO[H].[OH-].[Na+]>C(CCC)(=O)C=1C=C2C(C(=CNC2=CC1C)C(=O)O)=O | 3 |
[CH:1]([N:4]([CH3:29])[C:5]1[C:6]([C:19]2[CH:20]=[C:21]3[C:25](=[CH:26][CH:27]=2)[NH:24][CH:23]=[C:22]3[CH3:28])=[N:7][C:8]2[C:13]([N:14]=1)=[CH:12][C:11]([C:15]([O:17]C)=[O:16])=[CH:10][CH:9]=2)([CH3:3])[CH3:2].[OH-].[Na+].O>CO>[CH:1]([N:4]([CH3:29])[C:5]1[C:6]([C:19]2[CH:20]=[C:21]3[C:25](=[CH:26][CH:27]=2)[NH:24][CH... | 1 |
CC1(OB(OC1(C)C)C1=CC(=NC=C1)C(=O)OC)C.BrC1=NC=C(C(=C1)N1C(C(=C(C=C1C)OCC1=NC=C(C=C1F)F)Cl)=O)C>O.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].[F-].[Cs+]>ClC=1C(N(C(=CC1OCC1=NC=C(C=C1F)F)C)C1=CC(=NC=C1C)C1=CC(=NC=C1)C(=O)OC)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:31]=[CH:32][C:33]=1[O:34][CH3:35])[CH2:6][CH:7]1[C:16]2[C:11](=[CH:12][C:13]([OH:19])=[C:14]([O:17][CH3:18])[CH:15]=2)[CH2:10][CH2:9][N:8]1[CH2:20][C:21]([NH:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)=[O:22].[CH:36]1([CH2:39]Br)[CH2:38][CH2:37]1>>[CH3:1][O:2][C:3]1[CH:... | 1 |
FC(F)(F)S(OC1C=CC=CC=1CC1CCC2C(=CC=C(OC)C=2)C1)(=O)=O.COC1C=CC(CCN)=CC=1.C[O:40][C:41]1[CH:46]=[CH:45][C:44]([CH2:47][CH2:48][NH:49][C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][C:51]=2[CH2:56][CH:57]2[CH2:66][CH2:65][C:64]3[C:59](=[CH:60][CH:61]=[C:62]([O:67]C)[CH:63]=3)[CH2:58]2)=[CH:43][CH:42]=1.N>Br>[OH:40][C:41]1[CH:42]=[... | 1 |
C(C1=CC=CC=C1)OC1=NC(=CC(=C1CN1C(C2=C(CC1)SC(=C2C)[C@H](C)[C@@H]2CC[C@H](CC2)N2CC(C2)OCC2CC2)=O)C)C>N(C)(C)C=O.O.C1(=CC=C(C=C1)S(=O)(=O)O)C.[Cl-].[Li+]>C1(CC1)COC1CN(C1)[C@@H]1CC[C@H](CC1)[C@@H](C)C1=C(C=2C(N(CCC2S1)CC=1C(NC(=CC1C)C)=O)=O)C | 3 |
C1(CC1)CC(COS(=O)(=O)C)(COS(=O)(=O)C)OC1=CC2=C(C3=NC(=CN3CCO2)C=2N(N=C(N2)C)C(C)C)C=C1>>C(C1=CC=CC=C1)N1CC(C1)(OC1=CC2=C(C3=NC(=CN3CCO2)C=2N(N=C(N2)C)C(C)C)C=C1)CC1CC1 | 5 |
ClC=1C=C(C=C(C1)OC(F)(F)F)C1=NN(C=N1)\C=C/C(=O)OC(C)C>O.C1CCCO1.CCCCCC.[OH-].[Li+]>ClC=1C=C(C=C(C1)OC(F)(F)F)C1=NN(C=N1)\C=C/C(=O)O | 3 |
C1C(C)O1.F[C@H]1CNCC[C@H]1NC=1C=2C=C(N(C2C=CC1)CC(F)(F)F)C#CCNC1=C(C=C(C=C1)S(=O)(=O)C)OC>O.CCO[H]>F[C@H]1CN(CC[C@H]1NC1=C2C=C(N(C2=CC=C1)CC(F)(F)F)C#CCNC1=C(C=C(C=C1)S(=O)(=O)C)OC)CC(C)O | 3 |
ClC1=CC=C(C=C1)C1(CCNCC1)O>>ClC1=CC=C(C=C1)C1(CCNCC1)F | 5 |
[C:1](=[O:16])([O:6][C:7]1[CH:12]=[CH:11][C:10]([N+:13]([O-:15])=[O:14])=[CH:9][CH:8]=1)[O:2][CH:3](Cl)[CH3:4].[C:17]([OH:20])(=[O:19])[CH3:18]>>[C:1](=[O:16])([O:6][C:7]1[CH:12]=[CH:11][C:10]([N+:13]([O-:15])=[O:14])=[CH:9][CH:8]=1)[O:2][CH:3]([O:20][C:17](=[O:19])[CH3:18])[CH3:4] | 1 |
ON1C(C=2C(C1=O)=CC=CC2)=O.C1CCCCCC1.C1(CCCCCC1)=NO.[N+](=O)([O-])C1CCCCCC1.C1(CCCCCC1)=O>C(C)(=O)O.N(=O)OC(C)(C)C>C(C)(=O)OC1CCCCCC1 | 3 |
FC=1C=C(C=CC1S(=O)(=O)C)C1=C(N=C(S1)N=C=O)C>O1CCOCC1.C(O)CN>FC=1C=C(C=CC1S(=O)(=O)C)C1=C(N=C(S1)NC(=O)NCCO)C | 3 |
ClC1=CC(=C2C=CN(C2=C1)COCC[Si](C)(C)C)[N+](=O)[O-]>>ClC=1C=C(C=2C=CN(C2C1)COCC[Si](C)(C)C)N | 5 |
CC(C)([O-])C.[K+].[OH:7][CH2:8][C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][CH:17]=1)[C:12]([OH:14])=[O:13].[NH2:18][C:19]1[C:24]([C:25]#[N:26])=[C:23]([C:27]2[CH:32]=[CH:31][C:30]([O:33][CH:34]3[CH2:38][CH2:37][O:36][CH2:35]3)=[CH:29][CH:28]=2)[C:22]([C:39]#[N:40])=[C:21](SC2C=CC=CC=2)[N:20]=1.Cl>COCCOC.O>[NH2:18][C:19]1[N:20... | 2 |
C(OC([N:11]1[CH2:16][CH2:15][N:14]([C:17]2[N:22]=[C:21]([N:23]3[CH2:28][CH2:27][CH:26]([CH3:29])[CH2:25][CH2:24]3)[C:20]([N+:30]([O-:32])=[O:31])=[CH:19][CH:18]=2)[CH2:13][CH2:12]1)=O)C1C=CC=CC=1.[BrH:33].CCOCC>CC(O)=O>[BrH:33].[BrH:33].[CH3:29][CH:26]1[CH2:27][CH2:28][N:23]([C:21]2[C:20]([N+:30]([O-:32])=[O:31])=[CH:1... | 1 |
O=C1OCC2=C1C=CC(=C2)/C=C/N2CCN(CC2)C(=O)OC(C)(C)C>ClCCl.[Pd+2].[O-]C(=O)C.[O-]C(=O)C>O=C1OCC2=C1C=CC(=C2)C2C(C2)N2CCN(CC2)C(=O)OC(C)(C)C | 3 |
N1=CC=CC=2CCCC(C12)NCCCCN1C(C2=CC=CC=C2C1=O)=O.CN(S(=O)(=O)N1C(=NC2=C1CCCC2)C=O)C>>CN(S(=O)(=O)N1C(=NC2=C1CCCC2)CN(C2CCCC=1C=CC=NC21)CCCCN2C(C1=CC=CC=C1C2=O)=O)C | 5 |
[C-]#N.[Na+].BrCC1=C(C=CC=C1C1=CC=CC=C1)C1=CC=CC=C1>>C1(=CC=CC=C1)C1=C(C(=CC=C1)C1=CC=CC=C1)CC#N | 5 |
[C@H:1]12[CH2:7][C:6](=[CH:8][C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[C@H:5]1[CH:4]=[CH:3][CH2:2]2.N12CCCN=C1CCCCC2.[N+:27]([CH3:30])([O-:29])=[O:28]>Cl>[N+:27]([CH2:30][C@@:6]1([CH2:8][C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])[CH2:7][C@H:1]2[C@@H:5]1[CH:4]=[CH:3][CH2:2]2)([O-:29])=[O:28] | 1 |
[H-].[Na+].[F:3][C:4]([F:15])([F:14])[CH:5]([C:7]1[CH:12]=[CH:11][C:10]([F:13])=[CH:9][CH:8]=1)[OH:6].[F:16][C:17]([F:23])([F:22])[S:18](Cl)(=[O:20])=[O:19]>C(OCC)C>[F:15][C:4]([F:3])([F:14])[CH:5]([O:6][S:18]([C:17]([F:23])([F:22])[F:16])(=[O:20])=[O:19])[C:7]1[CH:8]=[CH:9][C:10]([F:13])=[CH:11][CH:12]=1 | 1 |
C(C1=CC=CC=C1)N.FC1=CC=C(NC2=C(C(=O)OC)C=CC(=C2)I)C=C1>>C(C1=CC=CC=C1)NC1=CC(=C(C(=O)OC)C=C1)NC1=CC=C(C=C1)F | 5 |
ClC=1C=C(N)C=C(C1C)Cl>O.N(=O)[O-].[Na+].[Cu]Br>BrC=1C=C(C(=C(C1)Cl)C)Cl | 3 |
ClC=1C=C(C(=O)[C@H]2CN(CCO2)C(=O)OC(C)(C)C)C=CC1>CO[H].[Na+].[BH4-]>ClC=1C=C(C=CC1)[C@@H]([C@H]1CN(CCO1)C(=O)OC(C)(C)C)O | 3 |
C1(=CC=C(C=C1C[P](=O)(OCC)OCC)[S](F)(F)(F)(F)F)[N+](=O)[O-].C1(=CC=CC=C1)C=O>>C1(=CC=C(C=C1C=CC2=CC=CC=C2)[S](F)(F)(F)(F)F)[N+](=O)[O-] | 5 |
CN(S(=O)(=O)C1=C(SC=C1)C(=O)O)C=1C=CC=C2C=C(NC12)C=1SC=CN1>>CN(S(=O)(=O)C1=C(SC=C1)C(=O)N)C=1C=CC=C2C=C(NC12)C=1SC=CN1 | 5 |
[NH:1]1[CH:5]=[CH:4][N:3]=[C:2]1[C:6]1[N:11]=[CH:10][C:9]([C:12]2[CH:13]=[CH:14][C:15]3[O:21][CH2:20][CH2:19][N:18]([C:22](Cl)=[O:23])[CH2:17][C:16]=3[CH:25]=2)=[CH:8][CH:7]=1.C(N(C(C)C)CC)(C)C.Cl.[C:36]([CH:38]1[CH2:43][CH2:42][NH:41][CH2:40][CH2:39]1)#[N:37]>ClCCl>[NH:1]1[CH:5]=[CH:4][N:3]=[C:2]1[C:6]1[N:11]=[CH:10][... | 1 |
[CH2:1]([Mg]Br)[CH3:2].[CH3:5][CH:6]([OH:9])[C:7]#[CH:8].[C:10]([O:24][C@@H]1C[C@@H](C)C(=O)C(C)(C)C1)([O:13][C@@H:14]1[CH2:19][C@@H:18]([CH3:20])[C:17](=[O:21])[C:16]([CH3:23])([CH3:22])[CH2:15]1)(C)[CH3:11].S(=O)(=O)(O)[OH:36]>O1CCCC1>[C:1]([O:9][CH:6]([C:7]#[C:8][C:17]1([OH:21])[C@H:18]([CH3:20])[CH2:19][C@@H:14]([O... | 1 |
[F:1][C:2]1[CH:14]=[C:12]2[C:13]3[N:8]([CH:9]=[C:10]([C:16]([OH:18])=[O:17])[C:11]2=[O:15])[CH:7]([CH3:19])[CH2:6][CH2:5][C:4]=3[C:3]=1[O:20]C>Br.O>[OH2:15].[F:1][C:2]1[CH:14]=[C:12]2[C:13]3[N:8]([CH:9]=[C:10]([C:16]([OH:18])=[O:17])[C:11]2=[O:15])[CH:7]([CH3:19])[CH2:6][CH2:5][C:4]=3[C:3]=1[OH:20] | 1 |
[O:1]1[CH2:6][CH:5]=[C:4]([C:7]2[CH:8]=[C:9]([NH2:13])[CH:10]=[N:11][CH:12]=2)[CH2:3][CH2:2]1>CCOC(C)=O.CCO.[Pd]>[O:1]1[CH2:6][CH2:5][CH:4]([C:7]2[CH:8]=[C:9]([NH2:13])[CH:10]=[N:11][CH:12]=2)[CH2:3][CH2:2]1 | 1 |
OC1=NC=NC=2N1N=CC2C2=CC=C(C=C2)[N+](=O)[O-]>CO[H].Cl.[HH].[Pd]>NC1=CC=C(C=C1)C=1C=NN2C1N=CN=C2O | 3 |
N1=CN=C(C2=CC=CC=C12)N.COC(=O)C=1N(C2=CC(=CC=C2C(C1CBr)=O)Cl)C1=CC=CC=C1>>COC(=O)C=1N(C2=CC(=CC=C2C(C1CNC1=NC=NC2=CC=CC=C12)=O)Cl)C1=CC=CC=C1 | 5 |
C(CO)(=O)OC.FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)C=1C=C(C=CC1OC)C1=C(C=C(C=C1)C(=O)O)C)C)(F)F>ClCCl.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)C=1C=C(C=CC1OC)C1=C(C=C(C=C1)C(=O)OCC(=O)OC)C)C)(F)F | 3 |
BrCC(=O)OCC.C(C)(C)(C)OC(NCC1CCNCC1)=O>>C(C)(C)(C)OC(=O)NCC1CCN(CC1)CC(=O)OCC | 5 |
COC1=CC=C(CN2C(C3=C(C=CC=C3C=C2[C@H](C)NC(OCC2C3=CC=CC=C3C=3C=CC=CC23)=O)Cl)=O)C=C1>C(=O)(C(F)(F)F)O>ClC=1C=CC=C2C=C(NC(C12)=O)[C@H](C)NC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O | 3 |
BrC=1C=C(C=CC1)O.C[C@@H]1[C@@H]2C([C@H]([C@H](C1=O)CN(CCC1=CC=CC=C1)C)C2)(C)C>C1CCCO1.C(C)(C)(C)[Li]>OC=1C=C(C=CC1)[C@@]1([C@@H]([C@@H]2C([C@H]([C@H]1CN(CCC1=CC=CC=C1)C)C2)(C)C)C)O | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.C(C)OC(=O)C1=NNN=C1C>N(C)(C)C=O.CCN(CC)CC>CC=1C(=NN(N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OCC | 3 |
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