smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=CC=C(OC2=CC=C(C=C2)N2C(O[C@H]([C@@H]2C2=CC=CC=C2)CN)=O)C=C1>ClCCl.CCN(CC)CC.S(=O)(=O)(C)Cl>ClC1=CC=C(OC2=CC=C(C=C2)N2C(O[C@H]([C@@H]2C2=CC=CC=C2)CNS(=O)(=O)C)=O)C=C1 | 3 |
ClC=1C=C2C=CC(=CC2=CC1)S(=O)(=O)N1CC(N(CC1)C(=O)C1CCN(CC1)C1=CC=NC=C1)C(=O)OC>>C(=O)(O)C1N(CCN(C1)S(=O)(=O)C1=CC2=CC=C(C=C2C=C1)Cl)C(=O)C1CCN(CC1)C1=CC=NC=C1 | 5 |
C1CC=COC1.OC1=C(C=O)C(=CC(=C1)O)COC>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>OC1=C(C=O)C(=CC(=C1)OC1OCCCC1)COC | 3 |
CC(C)(C)[S@@](=O)N.FC(C1=NC=C(C=N1)C=O)(F)F>>CC(C)(C)S(=O)\N=C/C=1C=NC(=NC1)C(F)(F)F | 5 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC1=CN=C2C(=N1)N(N=N2)CC2=CC(=CC=C2)C2=NC=C(C=N2)OCCN2CCOCC2>>CN1N=CC(=C1)C1=CN=C2C(=N1)N(N=N2)CC2=CC(=CC=C2)C2=NC=C(C=N2)OCCN2CCOCC2 | 5 |
[Br:1][C:2]1[CH:9]=[N:8][CH:7]=[C:6]([Br:10])[C:3]=1[CH:4]=O.Cl.O[NH2:13]>C(O)=O.S(=O)(=O)(O)O>[Br:1][C:2]1[CH:9]=[N:8][CH:7]=[C:6]([Br:10])[C:3]=1[C:4]#[N:13] | 1 |
N1C=NC2=C1C=CC=C2.ClCC(=O)NC1=CC=C(C=C1)N1N=C(C=C1C1CC1)C1CC1>N(C)(C)C=O.C(C)(=O)OCC.[H-].[Na+]>N1(C=NC2=C1C=CC=C2)CC(=O)NC2=CC=C(C=C2)N2N=C(C=C2C2CC2)C2CC2 | 3 |
C(C)(C)(C)OC(=O)N[C@@H]1C=C[C@@H](C1)C(=O)O>>Cl.N[C@@H]1C=C[C@@H](C1)C(=O)O | 5 |
[N+](=O)([O-])C1=C(C=CC=C1)CC(=O)N1CCOCC1>C1CCCO1.B>[N+](=O)([O-])C1=C(C=CC=C1)CCN1CCOCC1 | 3 |
BrC=1C(=C(C(=O)NC2CN(CC2=O)C(=O)OCC2=CC=CC=C2)C=CC1)C>O1CCOCC1.P(=O)(Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>BrC=1C(=C(C=CC1)C=1OC2=C(N1)CN(C2)C(=O)OCC2=CC=CC=C2)C | 3 |
C[O:2][C:3](=O)[C:4]1C=C[C:7]([C:8](O)=O)=[CH:6][CH:5]=1.CCCC([O:20][CH2:21][C:22]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1Br)=[O:23])CC.C([O-])([O-])=O.[K+].[K+].O>CN(C=O)C>[CH2:3]([O:2][C:27]1[CH:26]=[CH:25][C:24]([C:22](=[O:23])[CH2:21][OH:20])=[CH:29][CH:28]=1)[CH2:4][CH2:5][CH2:6][CH2:7][CH3:8] | 1 |
ClC1C=CC(CN)=CC=1.I.CSC1NCCN=1.[O-]CC.[Na+].[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([CH2:29][NH:30][C:31]2[NH:32][CH2:33][CH2:34][N:35]=2)=[CH:25][CH:24]=1.[N:36](=[C:38]([C:44]#[N:45])[C:39](OCC)=[O:40])[OH:37]>CCO>[NH2:45][C:44]1[N:30]([CH2:29][C:26]2[CH:25]=[CH:24][C:23]([Cl:22])=[CH:28][CH:27]=2)[C:31]2[N:35]([CH2:34][CH2:33][N:32]=2)[C:39](=[O:40])[C:38]=1[N:36]=[O:37] | 1 |
BrC=1SC2=C(C1C)C=C(C=C2)Cl>>ClC=1C=CC2=C(C(=C(S2)C=C)C)C1 | 5 |
FC(CO)(F)F.ClC1=NC(=NC(=N1)NC1=CC(=C(C=C1)F)Cl)NC1CCOCC1>>ClC=1C=C(C=CC1F)NC1=NC(=NC(=N1)NC1CCOCC1)OCC(F)(F)F | 5 |
Br[C:2]1[C:3]2[C:8]([C:9](Br)=[C:10]3[C:15]=1[CH:14]=[C:13]([O:16][CH2:17][CH:18]([CH2:23][CH3:24])[CH2:19][CH2:20][CH2:21][CH3:22])[CH:12]=[CH:11]3)=[CH:7][C:6]([O:26][CH2:27][CH:28]([CH2:33][CH3:34])[CH2:29][CH2:30][CH2:31][CH3:32])=[CH:5][CH:4]=2.[C:35]1([CH3:41])[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1.[H-]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C1COCC1>[C:35]1([C:41]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:41][C:35]2[CH:40]=[CH:39][C:38]([C:2]3[C:3]4[C:8]([C:9]([C:38]5[CH:39]=[CH:40][C:35]([CH:41]=[C:41]([C:3]6[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=6)[C:35]6[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=6)=[CH:36][CH:37]=5)=[C:10]5[C:11]=3[CH:12]=[C:13]([O:16][CH2:17][CH:18]([CH2:23][CH3:24])[CH2:19][CH2:20][CH2:21][CH3:22])[CH:14]=[CH:15]5)=[CH:7][C:6]([O:26][CH2:27][CH:28]([CH2:33][CH3:34])[CH2:29][CH2:30][CH2:31][CH3:32])=[CH:5][CH:4]=4)=[CH:37][CH:36]=2)[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1 | 1 |
C(C)(C)OC(=O)Cl.Cl.C1=CC=CC=2C(C3=C(C=CC21)C=CC=C3)=C3CCN(CC3)C(CN)=O>>C1=CC=CC=2C(C3=C(C=CC21)C=CC=C3)=C3CCN(CC3)C(CNC(OC(C)C)=O)=O | 5 |
[F:1][C:2]([F:17])([F:16])[S:3][C:4]1[CH:15]=[CH:14][C:7]([CH2:8][CH:9]([C:12]#[N:13])[C:10]#[N:11])=[CH:6][CH:5]=1.[H-].[Na+].Br[CH2:21][CH:22]1[CH2:25][CH2:24][CH2:23]1>CN(C)C=O>[CH:22]1([CH2:21][C:9]([CH2:8][C:7]2[CH:6]=[CH:5][C:4]([S:3][C:2]([F:16])([F:1])[F:17])=[CH:15][CH:14]=2)([C:12]#[N:13])[C:10]#[N:11])[CH2:25][CH2:24][CH2:23]1 | 2 |
Cl.[F:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:9][C:10](=N)[O:11][CH2:12][CH3:13].[CH2:15]([OH:17])[CH3:16].[CH2:18]([O:20]CC)[CH3:19]>>[F:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:9][C:10]([O:20][CH2:18][CH3:19])([O:17][CH2:15][CH3:16])[O:11][CH2:12][CH3:13] | 1 |
C1COCCN1.FC(C=1C=C(CN(C2=NC=C(C=N2)Br)CC=2C=C3C(=NC2N(CC2CC2)CC2CC2)N(N=C3)CC)C=C(C1)C(F)(F)F)(F)F>>FC(C=1C=C(CN(C2=NC=C(C=N2)C2=CC=C(C=C2)N2CCOCC2)CC=2C=C3C(=NC2N(CC2CC2)CC2CC2)N(N=C3)CC)C=C(C1)C(F)(F)F)(F)F | 5 |
C1(=CC=CC=C1)S(=O)(=O)Cl.ClC=1C2=C(N=CN1)NC=C2I>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>C1(=CC=CC=C1)S(=O)(=O)N1C=C(C2=C1N=CN=C2Cl)I | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][N:10]2[CH:14]=[C:13]([C:15]([NH:17][C:18]3[CH:19]=[C:20]4[C:25](=[CH:26][CH:27]=3)[CH2:24][N:23](C(OC(C)(C)C)=O)[CH2:22][CH2:21]4)=[O:16])[CH:12]=[N:11]2)[CH:5]=[CH:6][C:7]=1[Cl:8].Cl>CCOC(C)=O>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][N:10]2[CH:14]=[C:13]([C:15]([NH:17][C:18]3[CH:19]=[C:20]4[C:25](=[CH:26][CH:27]=3)[CH2:24][NH:23][CH2:22][CH2:21]4)=[O:16])[CH:12]=[N:11]2)[CH:5]=[CH:6][C:7]=1[Cl:8] | 2 |
C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1(OCC=CC1)C1=CC=CC=C1>CO[H].C(C)(=O)OCC.[Pd]>C1(=CC=CC=C1)C1(OCCCC1)C1=CC=C(C=C1)O | 3 |
[C:1]1([C:7]2[NH:8][C:9](C3C=CC=CC=3)=[C:10]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[N:11]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Na+].[OH-].[K+].Br[CH2:29][C:30]#[C:31][CH2:32][CH2:33][CH2:34][C:35]([O:37]C)=[O:36]>CN(C)C=O.CO>[C:1]1([N:8]2[C:9]([CH2:29][C:30]#[C:31][CH2:32][CH2:33][CH2:34][C:35]([OH:37])=[O:36])=[C:10]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[N:11]=[C:7]2[C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[C:1]([NH:8][C:9]([O:11][C:12]([CH3:15])([CH3:14])[CH3:13])=[O:10])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].CC(C)([O-])C.[K+].Cl[CH2:23][C:24]1[S:28][CH:27]=[C:26]([C:29]([O:31][CH3:32])=[O:30])[CH:25]=1.O>CN(C=O)C.C(OCC)(=O)C>[C:12]([O:11][C:9]([N:8]([CH2:23][C:24]1[S:28][CH:27]=[C:26]([C:29]([O:31][CH3:32])=[O:30])[CH:25]=1)[C:1]([O:3][C:4]([CH3:6])([CH3:7])[CH3:5])=[O:2])=[O:10])([CH3:15])([CH3:14])[CH3:13] | 1 |
I[C:2]1[C:3](=[O:28])[NH:4][C:5](=[O:27])[N:6]([CH2:8][CH2:9][CH2:10][N:11]2[CH2:16][C@H:15]3[C@:13]([C:17]4[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][CH:18]=4)([CH2:14]3)[CH2:12]2)[CH:7]=1.[NH:29]1[CH:33]=[CH:32][CH:31]=[N:30]1.CN(C)CC(O)=O.C([O-])([O-])=O.[K+].[K+]>CS(C)=O.CCOC(C)=O.[Cu](I)I>[N:29]1([C:2]2[C:3](=[O:28])[NH:4][C:5](=[O:27])[N:6]([CH2:8][CH2:9][CH2:10][N:11]3[CH2:16][C@H:15]4[C@:13]([C:17]5[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][CH:18]=5)([CH2:14]4)[CH2:12]3)[CH:7]=2)[CH:33]=[CH:32][CH:31]=[N:30]1 | 1 |
C(C)(C)(C)OC(=O)N1C(CN(CC1)C(=O)OC(C)(C)C)(C(=O)O)C>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>BrC=1C=C(N=NC1Cl)N.ClC=1C=C2C(=NN1)NC(C1(N2CCN(C1)C(=O)OC(C)(C)C)C)=O | 3 |
ClC=1C=C(C=CC1)C=1C=C(C(=NC1)C(=O)NCC(=O)O)O>>ClC=1C=C(C=CC1)C=1C=C(C(=NC1)C(=O)NCC(=O)N(C)C)O | 5 |
CS[C:3]([N:8]1[CH2:12][CH2:11][CH2:10][CH:9]1[C:13]1[CH:17]=[C:16]([C:18]2[CH:23]=[CH:22][CH:21]=[C:20]([Cl:24])[CH:19]=2)[O:15][N:14]=1)=[N:4][CH:5]1[CH2:7][CH2:6]1.[C:25]([NH:33][NH2:34])(=O)[C:26]1[CH:31]=[CH:30][CH:29]=[N:28][CH:27]=1.N1C=CC=CC=1>CC(O)C>[Cl:24][C:20]1[CH:19]=[C:18]([C:16]2[O:15][N:14]=[C:13]([CH:9]3[CH2:10][CH2:11][CH2:12][N:8]3[C:3]3[N:4]([CH:5]4[CH2:7][CH2:6]4)[C:25]([C:26]4[CH:27]=[N:28][CH:29]=[CH:30][CH:31]=4)=[N:33][N:34]=3)[CH:17]=2)[CH:23]=[CH:22][CH:21]=1 | 2 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:8]([N:14]=[C:15]=[S:16])[C:9]2[CH:13]=[CH:12]O[CH:10]=2)[CH:5]=[CH:6][CH:7]=1.[C:17](=[S:19])=[S:18].CC(C)([O-])C.[K+].[OH2:26]>O1CCCC1.[Cl-].[Na+].O.C(OCC)(=O)C>[Br:1][C:2]1[CH:3]=[C:4]([C:8]2([C:9]3[CH:13]=[CH:12][O:26][CH:10]=3)[C:17](=[S:18])[S:19][C:15](=[S:16])[NH:14]2)[CH:5]=[CH:6][CH:7]=1 | 2 |
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1Br)([O-])=O.Br[C:12]1[N:17]=[CH:16][CH:15]=[CH:14][N:13]=1>>[NH2:1][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:12]1[N:17]=[CH:16][CH:15]=[CH:14][N:13]=1 | 1 |
N(=[N+]=[N-])[Si](C)(C)C.COC=1C=CC2=C(SC(=C2OC2=CC=C(C=C2)/C=C/C(=O)N)C2=CC=C(C=C2)OC)C1>COCCOC>COC=1C=CC2=C(SC(=C2OC2=CC=C(/C=C/C3=NN=NN3)C=C2)C2=CC=C(C=C2)OC)C1 | 3 |
NC1=CC(=CC(=N1)C)C.CC=1OC2=C(C1C(=O)O)C=CC(=C2)OC2=CC=NC1=CC(=CC=C21)OCCN2CCCC2>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>CC1=CC(=NC(=C1)C)NC(=O)C1=C(OC2=C1C=CC(=C2)OC2=CC=NC1=CC(=CC=C21)OCCN2CCCC2)C | 3 |
NC=1C=C(C(=NC1)NC(OC(C)(C)C)=O)C.ClC=1C=C(C=CC1)C1N(CC(CC1)C)C(C(=O)OC)=O>N(C)(C)C=O.O.CO[H].[OH-].[Na+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC=1C=C(C=CC1)C1N(CC(CC1)C)C(C(=O)NC=1C=C(C(=NC1)NC(OC(C)(C)C)=O)C)=O | 3 |
CS(=O)(=O)O[C@H]1C[C@H](CC1)NC(=O)OC(C)(C)C>>N(=[N+]=[N-])[C@@H]1C[C@H](CC1)NC(OC(C)(C)C)=O | 5 |
[CH2:1]([C:9]([O:11]C(C)(C)C)=[O:10])[O:2]CC[Si](C)(C)C.NC1N=[N:19][C:20]2[C:21]=1N=[CH:23][CH:24]=2.NC1N=NC2C=1N=CC=2.CN(C=O)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN(C=O)C.Cl.CCN(C(C)C)C(C)C.C[C@H]1CN2CCC[C@H]2CN1C(Cl)=O>CN(C=O)C.O1CCOCC1.C(Cl)Cl.CC(N(C)C)=O>[CH2:24]([C:20]1[CH:21]=[C:1]([C:9]([OH:11])=[O:10])[O:2][N:19]=1)[CH3:23] | 1 |
[NH:1]1[CH:5]=[C:4]([CH2:6][C:7]([N:9]2[CH2:14][CH2:13][N:12](C(OCC3C=CC=CC=3)=O)[CH2:11][C@H:10]2[C:25](=[O:41])[NH:26][C:27]2[CH:32]=[CH:31][C:30]([O:33][C:34]3[CH:39]=[CH:38][C:37]([F:40])=[CH:36][CH:35]=3)=[CH:29][CH:28]=2)=[O:8])[N:3]=[CH:2]1>[Pd].CO>[NH:1]1[CH:5]=[C:4]([CH2:6][C:7]([N:9]2[CH2:14][CH2:13][NH:12][CH2:11][C@H:10]2[C:25]([NH:26][C:27]2[CH:28]=[CH:29][C:30]([O:33][C:34]3[CH:39]=[CH:38][C:37]([F:40])=[CH:36][CH:35]=3)=[CH:31][CH:32]=2)=[O:41])=[O:8])[N:3]=[CH:2]1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:11][C:12]2[C:13]([C:19]([NH:21][NH2:22])=O)=[N:14][CH:15]=[C:16]([Cl:18])[CH:17]=2)(=[O:10])=[O:9])=[CH:4][C:3]=1[C:23]([F:26])([F:25])[F:24].[CH3:27]OC(OC)OC.C(#N)C.[CH2:37]([O:39][C:40](=[O:45])[CH2:41][CH:42]([NH2:44])[CH3:43])[CH3:38]>C(O)(=O)C>[CH2:37]([O:39][C:40](=[O:45])[CH2:41][CH:42]([N:44]1[CH:27]=[N:22][N:21]=[C:19]1[C:13]1[C:12]([NH:11][S:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[C:3]([C:23]([F:24])([F:25])[F:26])[CH:4]=2)(=[O:9])=[O:10])=[CH:17][C:16]([Cl:18])=[CH:15][N:14]=1)[CH3:43])[CH3:38] | 1 |
[N+](=O)([O-])C.C(CCCCCCCCC)(=O)Cl.COC1=CC2=CC=CC=C2C=C1>>C(CCCCCCCCC)(=O)C1=CC2=CC=C(C=C2C=C1)OC | 5 |
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[C:8]3[N:9]([CH:33]=[C:34]([CH2:36][CH2:37][C:38]4[CH:47]=[CH:46][C:45]5[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=5)[N:39]=4)[N:35]=3)[C:10]([C:13]3[CH:18]=[CH:17][C:16]([N:19]4[C:23](=[O:24])[N:22](COCC[Si](C)(C)C)[N:21]=[CH:20]4)=[CH:15][CH:14]=3)=[CH:11][N:12]=2)[CH2:3][CH2:2]1.C(Cl)Cl.C(O)(C(F)(F)F)=O.O.CCO.CCN(C(C)C)C(C)C>CO.C(Cl)(Cl)Cl>[O:1]1[CH2:2][CH2:3][N:4]([C:7]2[C:8]3[N:9]([CH:33]=[C:34]([CH2:36][CH2:37][C:38]4[CH:47]=[CH:46][C:45]5[C:40](=[CH:41][CH:42]=[CH:43][CH:44]=5)[N:39]=4)[N:35]=3)[C:10]([C:13]3[CH:18]=[CH:17][C:16]([N:19]4[C:23](=[O:24])[NH:22][N:21]=[CH:20]4)=[CH:15][CH:14]=3)=[CH:11][N:12]=2)[CH2:5][CH2:6]1 | 1 |
Br[C:2]1[CH:3]=[N:4][C:5]([O:8][CH3:9])=[N:6][CH:7]=1.[C:10]([O:14][CH3:15])(=[O:13])[CH:11]=[CH2:12].C(N(CC)CC)C>CN(C=O)C.O.C(Cl)Cl.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>[CH3:9][O:8][C:5]1[N:4]=[CH:3][C:2](/[CH:12]=[CH:11]/[C:10]([O:14][CH3:15])=[O:13])=[CH:7][N:6]=1 | 1 |
CC(C)C1=C(C2=C(S1)CCC2)C(=O)O>C(C)(C)N(C(C)C)CC.CC(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>CC(C)C1=C(C2=C(S1)CCC2)NC(OC(C)(C)C)=O | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[C:20]1([CH3:27])[C:25]([OH:26])=[CH:24][CH:23]=[CH:22][CH:21]=1.O[CH2:29][C:30]1[C:31]([CH3:44])=[N:32][N:33]([C:36]2[CH:43]=[CH:42][C:39]([C:40]#[N:41])=[CH:38][CH:37]=2)[C:34]=1[CH3:35].N(C(OC(C)(C)C)=O)=NC(OC(C)(C)C)=O>C1COCC1>[CH3:44][C:31]1[C:30]([CH2:29][O:26][C:25]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[CH3:27])=[C:34]([CH3:35])[N:33]([C:36]2[CH:43]=[CH:42][C:39]([C:40]#[N:41])=[CH:38][CH:37]=2)[N:32]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9]([CH2:12][CH:13]([CH2:19][CH2:20][CH2:21][S:22]([C:25]2[CH:30]=[CH:29][C:28]([O:31][CH3:32])=[CH:27][CH:26]=2)(=[O:24])=[O:23])[C:14]([O:16]CC)=[O:15])(=[O:11])=[O:10])=[CH:5][CH:4]=1.C(OCC)(=O)C>Cl>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([S:9]([CH2:12][CH:13]([CH2:19][CH2:20][CH2:21][S:22]([C:25]2[CH:26]=[CH:27][C:28]([O:31][CH3:32])=[CH:29][CH:30]=2)(=[O:24])=[O:23])[C:14]([OH:16])=[O:15])(=[O:10])=[O:11])=[CH:7][CH:8]=1 | 1 |
C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)N.ClC1=CC(=C(N=N1)C(=O)N)NC1=NC(=CC(=C1)C)C(C)C>>C(N)(=O)C1=C(C=C(N=N1)N[C@H]1[C@H](CCCC1)NC(OC(C)(C)C)=O)NC1=NC(=CC(=C1)C)C(C)C | 5 |
BrC1=C(SC=C1)C(=O)C1=CC(=CC=C1)OC>O.NN.C(CO)O>COC=1C=C(C=CC1)C=NN | 3 |
NC1CCN(CC1)C(=O)OC(C)(C)C.C(C)C1=C(C=C(C=O)C=C1)[N+](=O)[O-]>>C(C)(C)(C)OC(=O)N1CCC(CC1)NCC1=CC(=C(C=C1)CC)[N+](=O)[O-] | 5 |
O1N=CC(=C1)B1OC(C)(C)C(C)(C)O1>N(C)(C)C=O.O.[F-].[K+].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]>C(#N)CC1=C2CC(CN(C2=CC=C1)C1=CC=C(C=C1)C(F)(F)F)NC(OC(C)(C)C)=O | 3 |
C(C(C)(C)C)(=O)Cl.C1(=CC=C(C=C1)C[C@@H]1CCC(N1CC1=CC=C(C=C1)OC)=O)C1=CC=CC=C1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>C(C1=CC=CC=C1)(=O)[C@H]1C(N(C(C1)CC1=CC=C(C=C1)C1=CC=CC=C1)\C=C\C1=CC=CC=C1)=O | 3 |
CC1C(C)=C(C)C(C)=C(C)C=1C.O.C(N(CC)CC)C.[CH:21](=[O:28])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.[CH:29]([CH:31]1[CH2:33][O:32]1)=[CH2:30]>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru].[Ru].[Ru].O1CCOCC1>[C:22]1([CH:21]([OH:28])[CH2:30][CH:29]=[CH:31][CH2:33][OH:32])[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 2 |
N1N=NC=C1C1=CC=C(C=C1)NC1=NC(=NC=C1)N1CCN(CC1)C(=O)OC(C)(C)C>Cl.C(C)(=O)OCC>N1N=NC=C1C1=CC=C(C=C1)NC1=NC(=NC=C1)N1CCNCC1 | 3 |
C(C)(C)(C)OC(=O)N[C@@H](C)[C@H]1CN(CC1)C1=C(C=C2C=C(C(N(C2=C1OC)C1CC1)=O)C(=O)O)F>Cl.C(C)(=O)OCC>Cl.N[C@@H](C)[C@H]1CN(CC1)C1=C(C=C2C=C(C(N(C2=C1OC)C1CC1)=O)C(=O)O)F | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7](Cl)[C:6]([C:13]#[N:14])=[CH:5]2.[CH3:15][O-:16].[Na+]>CO>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([O:16][CH3:15])[C:6]([C:13]#[N:14])=[CH:5]2 | 1 |
C(C)N.ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NC1=C(OC2=C(C=C(C=C2)CC(=O)O)OC)C=CC(=C1)C(NCC)=O>>ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NC=1C=C(C(=O)NCC)C=CC1OC1=C(C=C(C=C1)CC(NCC)=O)OC | 5 |
Cl.C([O:4][C:5](=[O:31])[CH2:6][NH:7][CH2:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][O:16][C:17]2[CH:22]=[CH:21][C:20]([C:23]3[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=3[F:30])=[CH:19][CH:18]=2)[CH:10]=1)C.C(N(CC)CC)C.[CH3:39][C:40]([CH3:45])([CH3:44])[C:41](Cl)=[O:42].[OH-].[Li+]>C(Cl)Cl.C1COCC1.CO>[F:30][C:24]1[CH:25]=[C:26]([F:29])[CH:27]=[CH:28][C:23]=1[C:20]1[CH:21]=[CH:22][C:17]([O:16][CH2:15][C:11]2[CH:10]=[C:9]([CH:14]=[CH:13][CH:12]=2)[CH2:8][N:7]([CH2:6][C:5]([OH:4])=[O:31])[C:41](=[O:42])[C:40]([CH3:45])([CH3:44])[CH3:39])=[CH:18][CH:19]=1 | 2 |
[CH2:1]([N:3]=[C:4]=[O:5])[CH3:2].[NH2:6][C:7]1[S:8][C:9]([C:13]2[CH:18]=[C:17]([Cl:19])[C:16]([S:20]([NH2:23])(=[O:22])=[O:21])=[C:15]([Cl:24])[CH:14]=2)=[C:10]([CH3:12])[N:11]=1>CN(C)C=O>[Cl:24][C:15]1[CH:14]=[C:13]([C:9]2[S:8][C:7]([NH:6][C:4]([NH:3][CH2:1][CH3:2])=[O:5])=[N:11][C:10]=2[CH3:12])[CH:18]=[C:17]([Cl:19])[C:16]=1[S:20]([NH2:23])(=[O:22])=[O:21] | 1 |
CI.ClC1=CC=C(C=N1)CC1=C2C(=C(N(C2=C(C=C1F)C#N)COCC[Si](C)(C)C)C)C>>ClC1=CC=C(C=N1)C(C)C1=C2C(=C(N(C2=C(C=C1F)C#N)COCC[Si](C)(C)C)C)C | 5 |
[F:1][C:2]1[CH2:7][CH:6]([CH3:8])[CH2:5][C:4](=[O:9])[C:3]=1[C:10](=[O:21])[C:11]1[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][CH3:20])=[CH:13][CH:12]=1.C(N(CC)CC)C.C[Si](I)(C)C.P([O-])([O-])([O-])=O.IN1C(=O)CCC1=O.[OH-].[Na+]>C(#N)C.O.O1CCCC1.C1(C)C=CC=CC=1>[F:1][C:2]1[C:3]([C:10](=[O:21])[C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][CH3:20])=[CH:13][CH:12]=2)=[C:4]([OH:9])[CH:5]=[C:6]([CH3:8])[CH:7]=1 | 2 |
COCC(=O)Cl.NC1=C(C=CC(=N1)C1=NC=CC=C1C(F)(F)F)C(=O)N>C1CCCO1.c1ccncc1>COCC=1NC(C2=C(N1)N=C(C=C2)C2=NC=CC=C2C(F)(F)F)=O | 3 |
C(C)N1N=CC=C1B1OC(C(O1)(C)C)(C)C.COC1=CC=C(CN(C=2C=3N(C(=C(N2)C=2C=C(C#N)C=CC2)Br)N=C(N3)C(O)C3=C(C=CC=C3F)F)CC3=CC=C(C=C3)OC)C=C1>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>NC=1C=2N(C(=C(N1)C=1C=C(C#N)C=CC1)C1=CC=NN1CC)N=C(N2)C(O)C2=C(C=CC=C2F)F | 3 |
[Br-].C[Mg+].ClC1=CC(=NC=N1)C(=O)OC>Cl.[OH-].[Na+].CC1OCCC1>ClC1=CC(=NC=N1)C(C)(C)O | 3 |
BrC1=C(C(=C(C(=C1C)F)OC)Br)[N+](=O)[O-]>O.CO[H].Cl.[HH].C(C)(=O)OCC.[Pd].C([O-])([O-])=O.[Na+].[Na+]>Cl.FC1=C(C=C(C=C1C)N)OC | 3 |
OCCN1N=C(C(=C1)C1=CC=NC=C1)C1=CC=C(C=C1)O.ClCC1=NC2=CC=CN=C2C=C1>>N1=C(C=CC2=NC=CC=C12)COC1=CC=C(C=C1)C1=NN(C=C1C1=CC=NC=C1)CCO | 5 |
OC=1C=C(C=O)C=CC1.BrCC(=O)OC(C)C>N(C)(C)C=O.CC(C)(C)[O-].[K+]>C(C)(C)OC(COC1=CC(=CC=C1)C=O)=O | 3 |
COC=1C=C(C=CC1)NC1=CC(CCC1)=O>CC#N.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>COC1=CC=C2C=3C(CCCC3NC2=C1)=O | 3 |
FC1=C(C=C(C=O)C=C1)C=1SC=CC1>>N1(CCCC1)C1=C(C=C(C=O)C=C1)C=1SC=CC1 | 5 |
FC1=C(C=CC(=C1)[N+](=O)[O-])O.ClC1=C2C(=NC=C1)C=C(S2)C(=O)N2CCN(CC2)C>>FC1=C(OC2=C3C(=NC=C2)C=C(S3)C(=O)N3CCN(CC3)C)C=CC(=C1)[N+](=O)[O-] | 5 |
COC1=C(C(=NC=C1)N1C=NC(=C1)C)[N+](=O)[O-]>[Fe].CCO[H].C(C)(=O)O>COC1=C(C(=NC=C1)N1C=NC(=C1)C)N | 3 |
C(C)(C)(C)[Si](C)(C)Cl>C1(=CC=NC=C1)N(C)C.CCN(CC)CC.ClCCCl.C(O)CN>[Si](C)(C)(C(C)(C)C)OCCN | 3 |
C(C)(C)(C)C1=CN(/C(/S1)=N/C(C1=C(C=CC(=C1)C(F)(F)F)OC[C@H]1N(CCC1)C)=O)C[C@@H]1OCCC1>C1(=CC=CC=C1)C.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>C(C)(C)(C)C1=CN(/C(/S1)=N/C(=S)C1=C(C=CC(=C1)C(F)(F)F)OC[C@H]1N(CCC1)C)C[C@@H]1OCCC1 | 3 |
ClC1=C(C=C2C(=CNC2=C1)C=O)C1=CC=C(C=C1)OCCN1CCOCC1>>ClC1=C(C=C2C(=CNC2=C1)C(=O)O)C1=CC=C(C=C1)OCCN1CCOCC1 | 5 |
[CH:1]1([C:7]2[O:11][N:10]=[C:9]([C:12]3[O:16][N:15]=[C:14]4[C:17]5[C:22]([CH2:23][CH2:24][C:13]=34)=[CH:21][C:20]([CH:25]=C)=[CH:19][CH:18]=5)[C:8]=2[C:27]([F:30])([F:29])[F:28])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[O:31]=[O+][O-].C(N(CC)CC)C>ClCCl>[CH:1]1([C:7]2[O:11][N:10]=[C:9]([C:12]3[O:16][N:15]=[C:14]4[C:17]5[C:22]([CH2:23][CH2:24][C:13]=34)=[CH:21][C:20]([CH:25]=[O:31])=[CH:19][CH:18]=5)[C:8]=2[C:27]([F:30])([F:29])[F:28])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
C(C)(C)(C)OC(NC1(CCC1)C1=CC=C(C=C1)C1=NC=2N(C(=C1C1=CC=CC=C1)NC1CC1)C=CN2)=O>>NC1(CCC1)C1=CC=C(C=C1)C1=NC=2N(C(=C1C1=CC=CC=C1)NC1CC1)C=CN2 | 5 |
[CH2:1]([N:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([OH:13])=[C:5]([C:14]([O:16]CC)=O)[C:4]1=[O:19])[CH3:2].Cl.[CH3:21][O:22][C:23](=[O:26])[CH2:24][NH2:25]>C1(C)C=CC=CC=1>[CH2:1]([N:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[C:6]([OH:13])=[C:5]([C:14]([NH:25][CH2:24][C:23]([O:22][CH3:21])=[O:26])=[O:16])[C:4]1=[O:19])[CH3:2] | 1 |
[CH:1]1([CH2:4][C:5]([NH:7][NH:8][C:9]2[CH:14]=[C:13]([N:15]3[CH2:20][CH2:19][CH:18]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[CH2:17][CH2:16]3)[N:12]=[CH:11][N:10]=2)=[O:6])[CH2:3][CH2:2]1.C1C(=O)N([Cl:34])C(=O)C1>C1COCC1.C(OCC)(=O)C>[Cl:34][C:14]1[C:9]([NH:8][NH:7][C:5](=[O:6])[CH2:4][CH:1]2[CH2:3][CH2:2]2)=[N:10][CH:11]=[N:12][C:13]=1[N:15]1[CH2:16][CH2:17][CH:18]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:19][CH2:20]1 | 2 |
BrCCCCC(=O)OCC.BrC1=CC=C(C=O)C=C1>CC(C)(C)[O-].[K+].C1CCCO1>BrC1=CC=C(C=C1)[C@@H]1OCCC[C@H]1C(=O)OCC | 3 |
Br[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][N:3]=1.[CH3:10][C:11]1([CH3:24])[NH:16][CH2:15][CH2:14][N:13]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:12]1.C(OC(C)(C)C)=O>>[C:6]([C:5]1[CH:8]=[CH:9][C:2]([N:16]2[CH2:15][CH2:14][N:13]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:12][C:11]2([CH3:24])[CH3:10])=[N:3][CH:4]=1)#[N:7] | 1 |
S1C(=NC=C1)N1CCNCC1.O1C2=C(CC1)C=C(C=C2)C(=O)Cl>C1CCCO1.CCN(CC)CC>O1CCC2=CC(=CC=C12)C(=O)N1CCN(CC1)C=1SC=CN1 | 3 |
[OH:1][CH2:2][C@@H:3]1[CH2:5][C@H:4]1[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C(=O)([O-])O.[Na+].S([O-])([O-])(=O)=S.[Na+].[Na+]>C(Cl)(Cl)Cl>[C:6]1([C@@H:4]2[CH2:5][C@H:3]2[CH:2]=[O:1])[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
ClC1=CC=C(COC2=CC(NC=C2)=O)C=C1.BrC1=CC2=C(N(N=C2C=C1)CCC)C>[Cu]I.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.CN[C@H]1[C@@H](CCCC1)NC>ClC1=CC=C(COC2=CC(N(C=C2)C2=CC3=C(N(N=C3C=C2)CCC)C)=O)C=C1 | 3 |
[F:1][C:2]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[C:15]([CH2:16][OH:17])=[C:14]([C:18]([F:21])([F:20])[F:19])[S:13][N:12]=2)=[CH:7][CH:6]=1)([F:4])[CH3:3].O[C:23]1[CH:28]=[CH:27][C:26]([CH2:29][CH2:30][C:31]([O:33]CC)=[O:32])=[C:25]([CH3:36])[C:24]=1[CH3:37]>>[F:4][C:2]([C:5]1[CH:6]=[CH:7][C:8]([C:11]2[C:15]([CH2:16][O:17][C:23]3[CH:28]=[CH:27][C:26]([CH2:29][CH2:30][C:31]([OH:33])=[O:32])=[C:25]([CH3:36])[C:24]=3[CH3:37])=[C:14]([C:18]([F:19])([F:20])[F:21])[S:13][N:12]=2)=[CH:9][CH:10]=1)([F:1])[CH3:3] | 1 |
C(C)OC(C(C(=O)OC(C)(C)C)CCOCC1=CC=CC=C1)=O>O.O1CCOCC1.[OH-].[K+]>C(C)(C)(C)OC(C(C(=O)O)CCOCC1=CC=CC=C1)=O | 3 |
BrC=1C=C2C=NC=NC2=CC1.C1(CC1)C(=O)N1C[C@@H](CC1)CN1C(=NC2=C1C=CC(=C2)C(F)(F)F)C2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C1(CC1)C(=O)N1C[C@@H](CC1)CN1C(=NC2=C1C=CC(=C2)C(F)(F)F)C2=CC=C(C=C2)C=2C=C1C=NC=NC1=CC2 | 3 |
CI.ClC=1N=C2C(=NC1)NC(=C2)C2=CC=CC=C2>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1N=C2C(=NC1)N(C(=C2)C2=CC=CC=C2)C | 3 |
Cl[C:2]1[N:3]=[N:4][CH:5]=[C:6]([C:8]([N:10]2[CH2:15][CH2:14][CH2:13][CH:12]([C:16]3[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[CH:18][C:17]=3[C:24]([F:27])([F:26])[F:25])[CH2:11]2)=[O:9])[CH:7]=1.[CH3:28][NH2:29]>CN1C(=O)CCC1.C(O)CCC>[CH3:23][O:22][C:19]1[CH:20]=[CH:21][C:16]([CH:12]2[CH2:13][CH2:14][CH2:15][N:10]([C:8]([C:6]3[CH:7]=[C:2]([NH:29][CH3:28])[N:3]=[N:4][CH:5]=3)=[O:9])[CH2:11]2)=[C:17]([C:24]([F:27])([F:26])[F:25])[CH:18]=1 | 2 |
C(O[C:6]([N:8]1[CH2:12][C:11](=[N:13][O:14][CH3:15])[CH2:10][C@H:9]1[C:16]([OH:18])=O)=[O:7])(C)(C)C.[CH3:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[C:26]1[CH:31]=[CH:30][C:29](C(O)=O)=[CH:28][CH:27]=1.[NH2:35][CH2:36][C@H:37]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[OH:38]>>[OH:38][C@@H:37]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH2:36][NH:35][C:16]([C@@H:9]1[CH2:10][C:11](=[N:13][O:14][CH3:15])[CH2:12][N:8]1[C:6]([C:29]1[CH:28]=[CH:27][C:26]([C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=2[CH3:19])=[CH:31][CH:30]=1)=[O:7])=[O:18] | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5](Br)=[CH:4][CH:3]=1.[CH2:9]([OH:12])[C:10]#[CH:11]>C(N)CC.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cu]I>[OH:12][CH2:9][C:10]#[C:11][C:2]1[CH:7]=[CH:6][C:5]([C:11]#[C:10][CH2:9][OH:12])=[CH:4][CH:3]=1 | 1 |
[N:1]1[CH:2]=[CH:3][N:4]2[C:9]=1[CH:8]=[CH:7][C:6]([C:10]1[CH:15]=[CH:14][N:13]([CH2:16][C@@H:17]([N:22]3C(=O)C4C(=CC=CC=4)C3=O)[CH2:18][CH:19]([CH3:21])[CH3:20])[C:12](=[O:33])[CH:11]=1)=[N:5]2.C1C(=O)N([Cl:41])C(=O)C1>CN(C=O)C.CCOC(C)=O>[NH2:22][C@@H:17]([CH2:18][CH:19]([CH3:21])[CH3:20])[CH2:16][N:13]1[CH:14]=[CH:15][C:10]([C:6]2[CH:7]=[CH:8][C:9]3[N:4]([C:3]([Cl:41])=[CH:2][N:1]=3)[N:5]=2)=[CH:11][C:12]1=[O:33] | 2 |
CO[C:3](=O)[C:4]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][CH:5]=1.[CH2:12]([Mg]Br)[CH3:13].B(F)(F)F.[CH3:20][CH2:21]OCC>C1COCC1>[CH2:20]([C:3]([C:4]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][CH:5]=1)=[CH:12][CH3:13])[CH3:21] | 1 |
C(C)(C)(C)OC(=O)N([C@H]1[C@H]2CN([C@@H](C1)C2)C(=O)OCC2=CC=CC=C2)C2=CC=C(C=C2)OC>CC#N.O.[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>C(C)(C)(C)OC(=O)N[C@H]1[C@H]2CN([C@@H](C1)C2)C(=O)OCC2=CC=CC=C2 | 3 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.BrC1=NNC(C2=CC(=CC=C12)Cl)=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].O1CCOCC1>ClC1=CC=C2C(=NNC(C2=C1)=O)C(=C)OCC | 3 |
[C:1]([O:5][C:6]([N:8]([CH2:38][CH2:39][O:40][CH3:41])[CH2:9][CH2:10][N:11]([C:16]1[CH:17]=[C:18]2[C:22](=[CH:23][CH:24]=1)[C:21](=[O:25])[N:20]([CH2:26][C:27]([O:29]CC1C=CC=CC=1)=[O:28])[C:19]2=[O:37])[S:12]([CH3:15])(=[O:14])=[O:13])=[O:7])([CH3:4])([CH3:3])[CH3:2]>CO.[Pd]>[C:1]([O:5][C:6]([N:8]([CH2:38][CH2:39][O:40][CH3:41])[CH2:9][CH2:10][N:11]([C:16]1[CH:17]=[C:18]2[C:22](=[CH:23][CH:24]=1)[C:21](=[O:25])[N:20]([CH2:26][C:27]([OH:29])=[O:28])[C:19]2=[O:37])[S:12]([CH3:15])(=[O:13])=[O:14])=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
COCCC1=CC=C(OCC(C(C)(C)[N+](=O)[O-])O)C=C1>CCO[H].[HH].[Pd].C(C)(=O)O>COCCC1=CC=C(OCC(C(C)(C)N)O)C=C1 | 3 |
[C:1]([O:4][C@H:5]1[C@@H:19]([O:20][C:21](=[O:23])[CH3:22])[C@H:18]([O:24][C:25](=[O:27])[CH3:26])[C@@H:17]([CH2:28][O:29][C:30](=[O:32])[CH3:31])[O:16][C@@H:6]1[O:7][C:8]1[CH:13]=[CH:12][C:11](I)=[CH:10][C:9]=1[Cl:15])(=[O:3])[CH3:2].[Cl:33][C:34]1[CH:35]=[C:36]2[CH:42]=[CH:41][NH:40][C:37]2=[N:38][CH:39]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].[C@@H]1(N)CCCC[C@H]1N>[Cu]I>[C:1]([O:4][C@H:5]1[C@@H:19]([O:20][C:21](=[O:23])[CH3:22])[C@H:18]([O:24][C:25](=[O:27])[CH3:26])[C@@H:17]([CH2:28][O:29][C:30](=[O:32])[CH3:31])[O:16][C@@H:6]1[O:7][C:8]1[CH:13]=[CH:12][C:11]([N:40]2[C:37]3=[N:38][CH:39]=[C:34]([Cl:33])[CH:35]=[C:36]3[CH:42]=[CH:41]2)=[CH:10][C:9]=1[Cl:15])(=[O:3])[CH3:2] | 2 |
ClC(C(=O)OCC)C(=O)C>CO[H].NC(=O)N>NC=1OC(=C(N1)C)C(=O)OCC | 3 |
C(C)(=S)O.C(C)(=O)O[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)O[C@@H]1[C@H](OC=CCCC)O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O>>C(C)(=O)O[C@@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)O[C@@H]1[C@H](OC(CCCC)C(C)=S)O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2[NH:16][C:17](=O)[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[CH3:24])=[C:5]([CH3:26])[CH:4]=1.Cl.O1CCOCC1.C(=O)(O)[O-].[Na+]>CO>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=3[N:16]=[C:17]2[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[CH3:24])=[C:5]([CH3:26])[CH:4]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-])=O)[CH:5]=[C:4]([N+:11]([O-:13])=[O:12])[CH:3]=1.CCO>C(OCC)(=O)C>[Cl:1][C:2]1[CH:7]=[C:6]([CH:5]=[C:4]([N+:11]([O-:13])=[O:12])[CH:3]=1)[NH2:8] | 2 |
C(C)(C)(C)OC(NCCCOC1=CC=C(C=C1)NC=1SC(=C(N1)N)C(C1=CC(=C(C=C1)OC)F)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>NC=1N=C(SC1C(=O)C1=CC(=C(C=C1)OC)F)NC1=CC=C(C=C1)OCCCN | 3 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[CH2:12]1[O:35][C:34]2[CH:33]=[CH:32][C:16]([CH2:17][NH:18][C:19]3[C:28]4[C:23](=[CH:24][CH:25]=[C:26]([S:29]([CH3:31])=[O:30])[CH:27]=4)[N:22]=[CH:21][N:20]=3)=[CH:15][C:14]=2[O:13]1>C(Cl)(Cl)Cl>[CH2:12]1[O:35][C:34]2[CH:33]=[CH:32][C:16]([CH2:17][NH:18][C:19]3[C:28]4[C:23](=[CH:24][CH:25]=[C:26]([S:29]([CH3:31])(=[O:9])=[O:30])[CH:27]=4)[N:22]=[CH:21][N:20]=3)=[CH:15][C:14]=2[O:13]1 | 1 |
ClC1=NC=NC2=C(C=C(C=C12)C1=CC=C(C=C1)F)OC>CO[H].N>Cl.FC1=CC=C(C=C1)C=1C=C2C(=NC=NC2=C(C1)OC)N | 3 |
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