smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(CC1)N(C(OC(C)(C)C)=O)C1=CC(=NC=2N1N=CC2C=O)C=2SC(=CC2)CO>>BrCC1=CC=C(S1)C1=NC=2N(C(=C1)NC1CC1)N=CC2C=O | 5 |
ClC1=NC=CC(=C1)OC=1C=NC(=CC1C)[N+](=O)[O-]>C1CCCO1.CO[H].[Zn].[Cl-].[NH4+]>ClC1=NC=CC(=C1)OC=1C(=CC(=NC1)N)C | 3 |
CS(O[CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([O:20][CH2:21][C:22]3[CH:31]=[CH:30][C:29]4[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=4)[N:23]=3)=[CH:16][CH:15]=2)[CH:8]=1)(=O)=O.[C-:32]#[N:33].[Na+]>CS(C)=O>[N:23]1[C:24]2[C:29](=[CH:28][CH:27]=[CH:26][CH:25]=2)[CH:30]=[CH:31][C:22]=1[CH2:21][O:20][C:17]1[CH:16]=[CH:15][C:14]([CH2:13][C:9]2[CH:8]=[C:7]([CH2:6][C:32]#[N:33])[CH:12]=[CH:11][CH:10]=2)=[CH:19][CH:18]=1 | 1 |
ClC1=NC=C(C(=N1)NC1=C(C=CC=C1)S(=O)(=O)C(C)C)Cl>>ClC=1C(=NC(=NC1)N)NC1=C(C=CC=C1)S(=O)(=O)C(C)C | 5 |
C(C#C)OC(CNC(=O)NNC(=O)OCC)COCC#C>>C(C#C)OC(CN1C(NNC1=O)=O)COCC#C | 5 |
BrC=1C=NC(=NC1)NC(C)=O>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]>C(C)(=O)NC1=NC=C(C=N1)C1=CC(=NC=C1)C(=O)[O-] | 4 |
[N:1]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[CH:10]=[CH:9][C:2]=1[CH2:3][C:4](OCC)=O.[C:17]([O:20][CH2:21][CH3:22])(=[O:19])C.[O-:23]CC.[Na+].Cl>C1(C)C=CC=CC=1>[CH2:21]([O:20][C:17]([CH2:4][C:3]([C:2]1[CH:9]=[CH:10][C:11]2[C:16](=[CH:15][CH:14]=[CH:13][CH:12]=2)[N:1]=1)=[O:23])=[O:19])[CH3:22] | 1 |
[F:1][C:2](=[CH2:7])[C:3]([O:5]C)=[O:4].[CH:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH:16]=[CH2:17])=[CH2:9].[CH2:18]=CCCCCC=C.O.O.O.O.O.O.O.OP([O-])([O-])=O.[Na+].[Na+].O.OP([O-])(O)=O.[Na+].[Na+].[Cl-].N([O-])=O.[Na+]>O>[CH2:9]=[CH:8][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[CH2:15].[CH:8]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH:16]=[CH2:17])=[CH2:9].[CH3:18][CH:7]=[C:2]([F:1])[C:3]([OH:5])=[O:4] | 2 |
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH2:6][NH:7][S:8]([C:11]1[CH:12]=[C:13]2[C:17](=[CH:18][CH:19]=1)[NH:16][C:15](=[O:20])[C:14]2=O)(=[O:10])=[O:9].[N+:22]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[NH:31][NH2:32])([O-:24])=[O:23]>Cl.C(O)C>[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[CH2:6][NH:7][S:8]([C:11]1[CH:12]=[C:13]2[C:17](=[CH:18][CH:19]=1)[NH:16][C:15](=[O:20])[C:14]2=[N:32][NH:31][C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=1[N+:22]([O-:24])=[O:23])(=[O:10])=[O:9] | 1 |
[OH:1][C@@H:2]([C@H:4]1[C:24](=[O:25])[N:6]2[C:7]([C:21]([O-:23])=[O:22])=[C:8]([S:11]/[CH:12]=[CH:13]\[C:14]3[S:18][CH:17]=[N:16][C:15]=3[CH2:19][OH:20])[C@H:9]([CH3:10])[C@H:5]12)[CH3:3].[Na+].[CH2:27]([O:31][C:32]([O:34][CH:35](I)[CH3:36])=[O:33])[CH:28]([CH3:30])[CH3:29]>>[OH:1][C@@H:2]([C@H:4]1[C:24](=[O:25])[N:6]2[C:7]([C:21]([O:23][CH:35]([O:34][C:32]([O:31][CH2:27][CH:28]([CH3:30])[CH3:29])=[O:33])[CH3:36])=[O:22])=[C:8]([S:11]/[CH:12]=[CH:13]\[C:14]3[S:18][CH:17]=[N:16][C:15]=3[CH2:19][OH:20])[C@H:9]([CH3:10])[C@H:5]12)[CH3:3] | 1 |
BrC1=CC(=NC(=C1)C(C)(C)O)C(C)(C)O>N(C)(C)C=O.[Cu+].[C-]#N>OC(C)(C)C=1C=C(C#N)C=C(N1)C(C)(C)O | 3 |
CC(C(=O)OCC1=CC=CC=C1)(CCC=O)C>ClCCl.CC(C)(C)[S@](=O)N.[O-]S(=O)(=O)[O-].[Cu+2]>C(C)(C)(C)[S@](=O)N=CCCC(C(=O)OCC1=CC=CC=C1)(C)C | 3 |
C(C1=CC=CC=C1)OCN1C=C(C=2N=CN=C(C21)OC)CN[C@@H](C(=O)OCC)[C@@H](C(=O)OCC)O>C(C)OCC.CO[H].[BH4-].[Li+]>C(C1=CC=CC=C1)OCN1C=C(C=2N=CN=C(C21)OC)CN[C@H]([C@@H](CO)O)CO | 3 |
ClC1=NC=CC2=C1N=CNC2=O>C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>ClC=1C2=C(N=CN1)C(=NC=C2)Cl | 3 |
Cl.Cl.C(CCC)C=1N=NC(=CC1C1=CC=C(C=C1)OC1CCCCC1)OCC1(CCNCC1)F>O.ClCCl.C=O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(CCC)C=1N=NC(=CC1C1=CC=C(C=C1)OC1CCCCC1)OCC1(CCN(CC1)C)F | 3 |
ClCC(=O)CCl.BrC1=C(C=O)C(=CC=C1)O>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>BrC1=CC=CC2=C1C=C(O2)C(=O)C=2OC1=C(C2)C(=CC=C1)Br | 3 |
BrCC1=C(C=CC(=C1)C(F)(F)F)C=1C=C(C=CC1OC)C1=C(C=C(C=C1)C(=O)OC)C.FC=1C=C(C=CC1)[C@@H]1[C@@H](NC(O1)=O)C>>FC=1C=C(C=CC1)[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)OC)C)C | 5 |
C(C)(=O)OCC1(CC1)C1=NC=C(C=N1)B1OC(C(O1)(C)C)(C)C>CC#N.O.S(=O)(=O)(O[O-])[O-].[K+].[K+].[O-]S(=O)[O-].[Na+].[Na+]>C(C)(=O)OCC1(CC1)C1=NC=C(C=N1)O | 3 |
CC1=CC(=O)N=C(N1)N>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>NC1=NC(=C(C(N1)=O)[N+](=O)[O-])C | 3 |
COCCN1N=C(C=C1)C(=O)OCC>O.CCO[H].[OH-].[Na+]>COCCN1N=C(C=C1)C(=O)O | 3 |
[F:1][C:2]1[C:11]([F:12])=[CH:10][C:9]([NH2:13])=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[N:7]2.[C:14]1([S:20](Cl)(=[O:22])=[O:21])[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>CN(C1C=CN=CC=1)C>[F:1][C:2]1[C:11]([F:12])=[CH:10][C:9]([NH:13][S:20]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)(=[O:22])=[O:21])=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[N:7]2 | 1 |
BrCC(=O)OCC.CC1=NC(=NC(=C1[N+](=O)[O-])C)O>>CC1=NC(=NC(=C1[N+](=O)[O-])C)OCC(=O)OCC | 5 |
O=C1NC=CC=C1C=O.IC=1C=C(C=CC1)N1C(COCC1)=O>>O=C1N(C=CC=C1C=O)C1=CC(=CC=C1)N1C(COCC1)=O | 5 |
BrC=1N=C(N2C1C(=NC=C2)Cl)[C@H]2C([C@](CC2)(C(=O)OC)C)(C)C>O.N.C(C)(C)O>COC(=O)[C@@]1(C([C@@H](CC1)C1=NC(=C2N1C=CN=C2N)Br)(C)C)C | 3 |
C(C)N=C=O.NC=1SC=C(C1C(=O)OCC)C>O.C1CCCO1.CCN(CC)CC>C(C)OC(=O)C1=C(SC=C1C)NC(=O)NCC | 3 |
COC1=CC=C(C=C1)C1=NC2=C(C=CC=C2C(N1C)=O)C>ClCCl.B(F)(F)F>OC1=CC=C(C=C1)C1=NC2=C(C=CC=C2C(N1C)=O)C | 3 |
C[O:2][C:3](=[O:19])[C:4]1[CH:9]=[C:8]([O:10][CH3:11])[CH:7]=[CH:6][C:5]=1[C:12]1[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=1.[OH-].[Na+]>C(O)C>[CH3:11][O:10][C:8]1[CH:7]=[CH:6][C:5]([C:12]2[CH:17]=[CH:16][C:15]([F:18])=[CH:14][CH:13]=2)=[C:4]([CH:9]=1)[C:3]([OH:19])=[O:2] | 1 |
[F:1][C:2]([F:12])([F:11])[CH:3]([CH:5]1[CH2:10][CH2:9][CH2:8][CH2:7][CH2:6]1)[OH:4].Cl[O-].[Na+].O>S([O-])(O)(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC.C(Cl)Cl>[CH:5]1([C:3]([C:2]([F:1])([F:11])[F:12])=[O:4])[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1 | 1 |
N(=[N+]=[N-])C1=CC=C(C(=O)NCC)C=C1.FCCCCC(CC(=O)OCC)=O>>C(C)NC(=O)C1=CC=C(C=C1)N1N=NC(=C1CCCCF)C(=O)O | 5 |
Br[CH:2]([CH2:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[CH:3]=O.[NH2:12][C:13]([NH2:15])=[O:14].C1(CCC=O)C=CC=CC=1>C(O)C>[CH2:5]([C:2]1[O:14][C:13]([NH2:15])=[N:12][CH:3]=1)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
C1(CC1)N1C(C2=CC=C(C=C2C1)B1OC(C(O1)(C)C)(C)C)=O.BrC1=CC(=C(CN2C(N(C(C2)=O)CC)=O)C=C1)Cl>O.O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C1(CCCCC1)P(C1CCCCC1)C1CCCCC1>ClC1=C(CN2C(N(C(C2)=O)CC)=O)C=CC(=C1)C=1C=C2CN(C(C2=CC1)=O)C1CC1 | 3 |
NC1=CC(=C(C=C1F)SC#N)C(C1=NC=CC=C1C)=O>CO[H].N>NC=1C(=CC2=C(C(=NS2)C2=NC=CC=C2C)C1)F | 3 |
N[C:2]1[CH:3]=[CH:4][C:5]([O:8][C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[O:15][CH:14]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH2:13][CH2:12]3)=[N:6][CH:7]=1.C=O.[C:27]([BH3-])#[N:28].[Na+].[C:31](O)(=O)C>C(#N)C>[CH3:31][N:28]([CH3:27])[C:2]1[CH:7]=[N:6][C:5]([O:8][C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][CH:18]=2)[O:15][CH:14]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH2:13][CH2:12]3)=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)OC1=CC=C(C(=C1C(C)(C)O)OC)OC1=C2CCCC2=C(C=C1C)N(CC1=CC=CC=C1)CC1=CC=CC=C1>>C(C1=CC=CC=C1)N(C1=C2CCCC2=C(C(=C1)C)OC1=C(C(=C(C=C1)OCC1=CC=CC=C1)C(=C)C)OC)CC1=CC=CC=C1 | 5 |
CS(O[CH2:6][C@@H:7]([NH:14]C(OC(C)(C)C)=O)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)(=O)=O.[N-:22]=[N+:23]=[N-:24].[Na+].O>CN(C=O)C>[N:22]([CH2:6][C@@H:7]([NH2:14])[C:8]1[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1)=[N+:23]=[N-:24] | 1 |
[CH2:1]([S:8][CH:9]([CH:35]([O:38][CH3:39])[O:36][CH3:37])[CH2:10][NH:11][C:12]([C:14]1[NH:15][C:16]2[C:21]([CH:22]=1)=[CH:20][C:19]([O:23][C:24]1[CH:29]=[CH:28][C:27]([S:30]([CH3:33])(=[O:32])=[O:31])=[CH:26][CH:25]=1)=[CH:18][C:17]=2[OH:34])=[O:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(P(CCCC)CCCC)CCC.[CH3:53][O:54][CH2:55][CH:56](O)[CH3:57].N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[CH2:1]([S:8][CH:9]([CH:35]([O:38][CH3:39])[O:36][CH3:37])[CH2:10][NH:11][C:12]([C:14]1[NH:15][C:16]2[C:21]([CH:22]=1)=[CH:20][C:19]([O:23][C:24]1[CH:29]=[CH:28][C:27]([S:30]([CH3:33])(=[O:31])=[O:32])=[CH:26][CH:25]=1)=[CH:18][C:17]=2[O:34][CH:56]([CH3:57])[CH2:55][O:54][CH3:53])=[O:13])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
FC(F)(F)C(O)=O.[C:8]1([C@H:14]2[CH2:16][C@@H:15]2[NH:17][C:18]([C@@H:20]2[CH2:25][C@@H:24]3[C@@H:22]([CH2:23]3)[NH:21]2)=[O:19])[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.[C:26]([C:29]1[C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[N:31]([CH2:38][C:39](O)=[O:40])[N:30]=1)(=[O:28])[CH3:27].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C>[C:8]1([C@H:14]2[CH2:16][C@@H:15]2[NH:17][C:18]([C@@H:20]2[CH2:25][C@@H:24]3[C@@H:22]([CH2:23]3)[N:21]2[C:39](=[O:40])[CH2:38][N:31]2[C:32]3[C:37](=[CH:36][CH:35]=[CH:34][CH:33]=3)[C:29]([C:26](=[O:28])[CH3:27])=[N:30]2)=[O:19])[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 2 |
C1CNCCC12CCCCC2.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)N=C=S>>C1CN(CCC12CCCCC2)C(N)=S | 5 |
Br[C:2]1[N:7]=[N:6][C:5]([NH2:8])=[N:4][C:3]=1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[CH3:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=1>>[CH3:15][O:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][C:2]2[N:7]=[N:6][C:5]([NH2:8])=[N:4][C:3]=2[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[CH:19][CH:18]=1 | 1 |
C(#N)CP(OCC)(OCC)=O.O=C1C2(CC3=CC(=CC=C13)C(=O)OC)CC2>>C(#N)C=C1C2(CC3=CC(=CC=C13)C(=O)O)CC2 | 5 |
CC=1NC=CN1.ClC=1OC(=C(N1)C1=CC=C(C=C1)Cl)CCCOC1=C(C=CC=C1)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=C1)C=1N=C(OC1CCCOC1=C(C=CC=C1)C)N1C(=NC=C1)C | 3 |
[CH3:1][CH:2]([CH2:20][CH3:21])[CH2:3][O:4][C:5]([C:7]1(O)[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[CH:9][CH2:8]1)=[O:6].BrC(Br)CCCCCCCCCCC.C(=O)([O-])[O-].[K+].[K+]>CC(C)=O>[CH3:1][CH:2]([CH2:20][CH3:21])[CH2:3][O:4][C:5]([C:7]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[CH:9][CH:8]=1)=[O:6] | 1 |
[Sn](Cl)Cl.[Cl:4][C:5]1[C:6]([F:15])=[C:7]([N+:12]([O-])=O)[CH:8]=[CH:9][C:10]=1[F:11].Cl.[OH-].[Na+]>O.C(OCC)C>[Cl:4][C:5]1[C:6]([F:15])=[C:7]([CH:8]=[CH:9][C:10]=1[F:11])[NH2:12] | 1 |
C(C)(C)(C)OC(=O)N1CC(CCC1)=O.C(=O)(OCC1=CC=CC=C1)NN>C1CCCO1.C(C)OCC.CO[H].[Na+].[BH4-].O(C(C)(C)C)C.[Cl-].[NH4+]>C(C1=CC=CC=C1)OC(=O)NNC1CN(CCC1)C(=O)OC(C)(C)C | 3 |
Cl.Cl.[CH3:3][N:4]1[CH2:9][CH2:8][NH:7][CH2:6][CH:5]1[CH2:10][OH:11].Br[CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15].C([O-])([O-])=O.[K+].[K+]>CC#N>[CH2:17]([O:16][C:14](=[O:15])[CH2:13][N:7]1[CH2:8][CH2:9][N:4]([CH3:3])[CH:5]([CH2:10][OH:11])[CH2:6]1)[CH3:18] | 1 |
C(C=O)(=O)O.ClC=1C=C(C=CC1)C(C)=O>N.O.NN>ClC=1C=C(C=CC1)C=1C=CC(NN1)=O | 3 |
[F:1][C:2]1[CH:12]=[CH:11][C:5]([CH2:6][NH:7][C:8](=O)[CH3:9])=[CH:4][CH:3]=1.B.Cl>C1COCC1>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][NH:7][CH2:8][CH3:9])=[CH:11][CH:12]=1 | 1 |
Cl.ClC=1C=C(CC2C(CCC3=CC=C(C=C23)OC)N)C=CC1Cl>>ClC=1C=C(CC2C(CCC3=CC=C(C=C23)OC)NC(OCC)=O)C=CC1Cl | 5 |
C1(=CC=CC=C1)C1CC(C(O1)CCCO)=C=C>CO[H].[Cu](Cl)Cl.Cl[Pd]Cl>C1(=CC=CC=C1)C1CC2(OCCCC2O1)C(C(=O)OCC)=C | 3 |
[C:1]([O:5][C:6](=[O:11])[NH:7][CH2:8][CH2:9]Br)([CH3:4])([CH3:3])[CH3:2].[Cl:12][C:13]1[CH:14]=[CH:15][C:16]([OH:21])=[C:17]([CH:20]=1)[CH:18]=[O:19].C([O-])([O-])=O.[K+].[K+]>>[C:1]([O:5][C:6](=[O:11])[NH:7][CH2:8][CH2:9][O:21][C:16]1[CH:15]=[CH:14][C:13]([Cl:12])=[CH:20][C:17]=1[CH:18]=[O:19])([CH3:4])([CH3:3])[CH3:2] | 1 |
FC1=NC=CC(=C1)CC=1C=NC=C(C(=O)OC)C1>>FC1=NC=CC(=C1)CC=1C=NC=C(C(=O)[O-])C1.[NH4+] | 5 |
C(C)OP(=O)(OCC)C(=C)P(=O)(OCC)OCC.COC1=CC2=C(N=C(S2)NC(CC(C2=CC=CC=C2)=O)=O)C=C1>CO[H].C([O-])([O-])=O.[K+].[K+]>O.C(C)OP(OCC)(=O)C(CC(C(C1=CC=CC=C1)=O)C1=NC=CC=C1)P(OCC)(OCC)=O.O=C(C(CC(P(OCC)(OCC)=O)P(OCC)(OCC)=O)C1=NC=CC=C1)C1=CC=CC=C1 | 3 |
ClCC(=O)Cl.BrC1=CC=C2C(=C(C=NC2=C1)N)NC(CCO[Si](C)(C)C(C)(C)C)C>C(Cl)(Cl)(Cl)[H]>BrC=1C=CC=2C3=C(C=NC2C1)N=C(N3C(CCO[Si](C)(C)C(C)(C)C)C)CCl | 3 |
[F:1][C:2]1[C:15]2[C:14](=[O:16])[C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[C:7](=[O:17])[C:6]=2[C:5]([F:18])=[C:4](F)[C:3]=1F.[CH:21]([C:24]1[CH:30]=[CH:29][CH:28]=[C:27]([CH:31]([CH3:33])[CH3:32])[C:25]=1[NH2:26])([CH3:23])[CH3:22]>>[CH:31]([C:27]1[CH:28]=[CH:29][CH:30]=[C:24]([CH:21]([CH3:23])[CH3:22])[C:25]=1[NH:26][C:3]1[C:4]([NH:26][C:25]2[C:27]([CH:31]([CH3:32])[CH3:33])=[CH:28][CH:29]=[CH:30][C:24]=2[CH:21]([CH3:23])[CH3:22])=[C:5]([F:18])[C:6]2[C:7](=[O:17])[C:8]3[C:13](=[CH:12][CH:11]=[CH:10][CH:9]=3)[C:14](=[O:16])[C:15]=2[C:2]=1[F:1])([CH3:33])[CH3:32] | 1 |
ClC1=C(C=CC=C1Cl)B(O)O.BrC1=CC=CC=2C(=C(SC21)C(=O)N[C@H]2CCOC1=CC=CC=C21)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].ClCCl.C([O-])([O-])=O.[Na+].[Na+].COCCOC>ClC1=C(SC2=C1C=CC=C2C2=C(C(=CC=C2)Cl)Cl)C(=O)N[C@H]2CCOC1=CC=CC=C21 | 3 |
[CH:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]([C:13]3[C:18]([CH3:20])([CH3:19])[CH2:17][CH2:16][C:15]([CH3:22])([CH3:21])[CH:14]=3)=[O:12])=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1>C(O)(=O)C.[Pt](=O)=O>[CH2:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]([C:13]3[C:18]([CH3:20])([CH3:19])[CH2:17][CH2:16][C:15]([CH3:22])([CH3:21])[CH:14]=3)=[O:12])=[CH:8][CH:9]=2)[CH2:4][CH2:3][NH:2]1 | 1 |
C(C)(C)(C)OC(=O)N([C@H](C(=O)N[C@H](C(=O)N1CC2=CC(=CC=C2C[C@H]1C(N[C@@H]1CCCC2=CC=CC=C12)=O)OCC1=CC=C(C(=O)O)C=C1)C(C)(C)C)C)C>>OC1=CC=C2C[C@H](N(CC2=C1)C([C@H](C(C)(C)C)NC([C@H](C)N(C(OC(C)(C)C)=O)C)=O)=O)C(N[C@@H]1CCCC2=CC=CC=C12)=O | 5 |
C(CC(=O)O)(=O)O.BrC=1C=C2\C(\C=C(OC2=CC1)C(F)(F)F)=N/CC1=CC=CC=C1>>BrC=1C=C2C(CC(OC2=CC1)(C(F)(F)F)C)=O | 5 |
[BH4-].[Na+].[CH3:3][O:4][C:5]1[C:10]([CH:11]=[O:12])=[C:9]([C:13]([F:16])([F:15])[F:14])[N:8]=[CH:7][N:6]=1.O>CO>[CH3:3][O:4][C:5]1[C:10]([CH2:11][OH:12])=[C:9]([C:13]([F:15])([F:14])[F:16])[N:8]=[CH:7][N:6]=1 | 1 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH3:14])[C:9]=2[CH3:15])[N:5]=[C:4]([NH2:16])[N:3]=1.[NH2:17][CH2:18][CH2:19][CH2:20][N:21]1[C:29](=[O:30])[C:28]2[C:23](=[N:24][CH:25]=[CH:26][CH:27]=2)[CH2:22]1.C(N(CC)CC)C.CO>C(#N)C.C(O)C.CO>[NH2:16][C:4]1[N:3]=[C:2]([NH:17][CH2:18][CH2:19][CH2:20][N:21]2[C:29](=[O:30])[C:28]3[C:23](=[N:24][CH:25]=[CH:26][CH:27]=3)[CH2:22]2)[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH3:14])[C:9]=2[CH3:15])[N:5]=1 | 2 |
COC1C=CC(P2(SP(C3C=CC(OC)=CC=3)(=S)S2)=[S:10])=CC=1.C([N:26]([C:28](=O)[C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([Br:35])[CH:30]=1)[NH2:27])(=O)C.O1[CH2:42][CH2:41]OCC1>>[Br:35][C:31]1[CH:30]=[C:29]([C:28]2[S:10][C:41]([CH3:42])=[N:27][N:26]=2)[CH:34]=[CH:33][CH:32]=1 | 2 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[S:9][CH:10]=[C:11]([C:13]3[C:18](=[O:19])[NH:17][C:16]([CH3:20])=[C:15]([C:21]([O:23][CH2:24][CH3:25])=[O:22])[CH:14]=3)[N:12]=2)[CH:5]=[CH:4][N:3]=1.[CH:26]([NH:29][CH2:30][CH2:31][NH2:32])([CH3:28])[CH3:27]>N1C(C)=CC(C)=CC=1C>[CH3:20][C:16]1[NH:17][C:18](=[O:19])[C:13]([C:11]2[N:12]=[C:8]([C:6]3[CH:5]=[CH:4][N:3]=[C:2]([NH:32][CH2:31][CH2:30][NH:29][CH:26]([CH3:28])[CH3:27])[CH:7]=3)[S:9][CH:10]=2)=[CH:14][C:15]=1[C:21]([O:23][CH2:24][CH3:25])=[O:22] | 2 |
C(C1=CC=CC=C1)N1CC2(OC(C1)(C)C)CCN(CC2)C(=O)OC(C)(C)C>CCO[H].Cl>C(C1=CC=CC=C1)N1CC2(OC(C1)(C)C)CCNCC2 | 3 |
CS(=O)(=O)Cl.ClC=1N=C(C2=C(N1)C=C(S2)CN2CC1(C2)CCNCC1)N1CCOCC1>ClCCl.CCN(CC)CC>ClC=1N=C(C2=C(N1)C=C(S2)CN2CC1(C2)CCN(CC1)S(=O)(=O)C)N1CCOCC1 | 3 |
C(OC)(OC)OC.N(=[N+]=[N-])[Si](C)(C)C.CC1(C[C@H](N2C(C=C(CC12)C1=C(C(=CC=C1N)Cl)F)=O)C(=O)O)OC>C(C)(=O)O>O=C1N2[C@@H](CCC2CC(=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC | 4 |
Cl.[CH3:2][O:3][C:4]1[CH:5]=[C:6]([C:10]2[CH:11]=[CH:12][C:13](B(O)O)=[N:14][CH:15]=2)[CH:7]=[CH:8][CH:9]=1.[Cl:19][C:20]1[CH:25]=[C:24](Cl)[N:23]=[C:22]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][N:28]=2)[N:21]=1.C(Cl)Cl>COCCOC.C(=O)([O-])[O-].[Na+].[Na+].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]>[Cl:19][C:20]1[CH:25]=[C:24]([C:12]2[CH:13]=[N:14][CH:15]=[C:10]([C:6]3[CH:7]=[CH:8][CH:9]=[C:4]([O:3][CH3:2])[CH:5]=3)[CH:11]=2)[N:23]=[C:22]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][N:28]=2)[N:21]=1 | 1 |
O1C(=CC2=C1C=CC=C2)C=2C=NC=C1C=CC(=NC21)CN2CCC(CC2)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>O1C(=CC2=C1C=CC=C2)C=2C=NC=C1C=CC(=NC21)CN2CCC(CC2)N | 3 |
[Si](C)(C)(C(C)(C)C)OCC1(CC=2N(CCS1)C(=NN2)C2(CC2)C2=CC=C(C=C2)C2=NC=C(C#N)C=C2)C>>OCC1(CC=2N(CCS1)C(=NN2)C2(CC2)C2=CC=C(C=C2)C2=NC=C(C#N)C=C2)C | 5 |
CS(=O)(=O)Cl.CC1(O[C@H]([C@H](O1)[C@@H](C)O)CO[Si](C(C)C)(C(C)C)C(C)C)C>CCN(CC)CC.C(C)(=O)OCC>CS(=O)(=O)O[C@H](C)[C@@H]1OC(O[C@H]1CO[Si](C(C)C)(C(C)C)C(C)C)(C)C | 3 |
O=P(OC(C)(C)C)OC(C)(C)C.C(C1=CC=CC=C1)OC=1C(=NC=C(C1C=O)C)C>>C(C)(C)(C)OP(OC(C)(C)C)(=O)C(O)C1=C(C(=NC=C1C)C)OCC1=CC=CC=C1 | 5 |
ClC=1C=C(OCC(=O)O)C=C(C1CC1=C(C(=C(C=C1)O)C(C)C)F)Cl>O.ClCCl.C(C(=O)Cl)(=O)Cl.N>ClC=1C=C(OCC(=O)N)C=C(C1CC1=C(C(=C(C=C1)O)C(C)C)F)Cl | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]([O:8][CH3:9])=[N:6][CH:7]=1.C([Li])CCC.[N:15]1[CH:20]=[CH:19][CH:18]=[C:17]([CH:21]=[O:22])[CH:16]=1.[Cl-].[NH4+]>CCCCCC.CCOCC.O>[CH3:9][O:8][C:5]1[CH:4]=[CH:3][C:2]([CH:21]([C:17]2[CH:16]=[N:15][CH:20]=[CH:19][CH:18]=2)[OH:22])=[CH:7][N:6]=1 | 1 |
C(C=CC1=CC=CC=C1)O.C1(=CC=C(C=C1)S(=O)(=O)N1[C@@H](CSCC1)C(=O)O)C>>C1(=CC=CC=C1)C=CCOC(=O)[C@H]1N(CCSC1)S(=O)(=O)C1=CC=C(C=C1)C | 5 |
CC12CC3(CC(CC(C1)(C3)C)(C2)OCC#C)C23CC1(CC(CC(C2)(C1)OCC#C)(C3)C)C>C1CCCO1.[HH].N1=CC=CC2=CC=CC=C12.C([O-])([O-])=O.[Ca+2].[Pd+2].C([O-])([O-])=O>CC12CC3(CC(CC(C1)(C3)C)(C2)OCC=C)C23CC1(CC(CC(C2)(C1)OCC=C)(C3)C)C | 3 |
C(C)(C)(C)CC(=O)Cl.C(C)OC(=O)C1(CCNCC1)CCOC>CCN(CC)CC>C(C)OC(=O)C1(CCN(CC1)C(CC(C)(C)C)=O)CCOC | 3 |
[C:1]([C:9]1[CH:10]=[C:11]([CH:14]=[CH:15][CH:16]=1)[CH2:12][OH:13])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cr](O)(O)(=O)=O.O>CC(C)=O>[C:1]([C:9]1[CH:10]=[C:11]([CH:14]=[CH:15][CH:16]=1)[CH:12]=[O:13])(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Br:1][C:2]1[C:3]([C:9](OC)=[O:10])=[N:4][C:5]([Cl:8])=[CH:6][CH:7]=1.[BH4-].[Na+]>CO>[Br:1][C:2]1[C:3]([CH2:9][OH:10])=[N:4][C:5]([Cl:8])=[CH:6][CH:7]=1 | 2 |
[C:1]12([NH2:11])[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[CH2:12]([O:19][C:20]1[CH:27]=[CH:26][C:23]([CH:24]=O)=[C:22]([OH:28])[CH:21]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>>[C:1]12([NH:11][CH2:24][C:23]3[CH:26]=[CH:27][C:20]([O:19][CH2:12][C:13]4[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=4)=[CH:21][C:22]=3[OH:28])[CH2:8][CH:7]3[CH2:6][CH:5]([CH2:4][CH:3]([CH2:9]3)[CH2:2]1)[CH2:10]2 | 2 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[N+:10]([O-])=O.C1C=C(S([O-])(=O)=O)C=C(P(C2C=CC=C(S([O-])(=O)=O)C=2)C2C=CC=C(S([O-])(=O)=O)C=2)C=1.[Na+].[Na+].[Na+].P.[OH-].[Na+]>Cl[Pd]Cl.O.C1(C)C(C)=CC=CC=1>[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[NH2:10] | 1 |
Cl[C:2]1[N:3]=[C:4]([NH:20][CH2:21][CH:22]=[CH2:23])[C:5]2[N:6]=[C:7]([NH:16][CH2:17][CH:18]=[CH2:19])[N:8]=[C:9]([NH:12][CH2:13][CH:14]=[CH2:15])[C:10]=2[N:11]=1.[F:24][C:25]1[CH:30]=[CH:29][C:28]([CH:31]([C:38]2[CH:43]=[CH:42][C:41]([F:44])=[CH:40][CH:39]=2)[N:32]2[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]2)=[CH:27][CH:26]=1.C(NC1N=C(NCC=C)C2N=C(N3CCN(CC4C=CC(F)=CC=4)CC3)N=C(NCC=C)C=2N=1)C=C>>[CH2:17]([NH:16][C:7]1[N:8]=[C:9]([NH:12][CH2:13][CH:14]=[CH2:15])[C:10]2[N:11]=[C:2]([N:35]3[CH2:34][CH2:33][N:32]([CH:31]([C:38]4[CH:43]=[CH:42][C:41]([F:44])=[CH:40][CH:39]=4)[C:28]4[CH:27]=[CH:26][C:25]([F:24])=[CH:30][CH:29]=4)[CH2:37][CH2:36]3)[N:3]=[C:4]([NH:20][CH2:21][CH:22]=[CH2:23])[C:5]=2[N:6]=1)[CH:18]=[CH2:19] | 2 |
N1(N=CC=C1)C(=N)N.NCCN(C[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC=2C(N)=NC=NC12)O)O)C>>N(C(=N)N)CCN(C[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC=2C(N)=NC=NC12)O)O)C | 5 |
FC=1C=C(C(=O)OC)C=CC1C>>FC=1C=C(C(=O)OC)C=CC1CBr | 5 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH2:7]([N:9]1[CH:13]=[CH:12][CH:11]=[C:10]1[C:14](=O)[C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([NH2:21])[CH:16]=1)[CH3:8].C(N1C=CC=C1C(O)C1C=CC=C(N)C=1)C.C([BH3-])#N.[Na+].C(=O)([O-])[O-].[Na+].[Na+]>O1CCCC1.CO.C(O)(=O)C>[CH2:7]([N:9]1[CH:13]=[CH:12][CH:11]=[C:10]1[CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([NH2:21])[CH:16]=1)[CH3:8] | 1 |
C(C)OC=C(C(=O)OCC)C(=O)OCC.CC=1C=C(N)C=CC1OC>C(C)(C)O>COC1=C(C=C(C=C1)NC=C(C(=O)OCC)C(=O)OCC)C | 3 |
C(=O)(OC(C)(C)C)NCCCN.COC(=O)CC1C(NC2=CC(=CC=C2C1)C(=O)O)=O>N(C)(C)C=O.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>COC(CC1C(NC2=CC(=CC=C2C1)C(NCCCNC(=O)OC(C)(C)C)=O)=O)=O | 3 |
C(C)(C)(C)OC(=O)N1C[C@H](OCC1)C1=CC(=C(C=C1)NC(=O)C=1N(N=C(C1)C1=CC=CC=C1)C)F>>FC1=C(C=CC(=C1)[C@@H]1CNCCO1)NC(=O)C=1N(N=C(C1)C1=CC=CC=C1)C | 5 |
FC(F)(F)C(OC(=O)C(F)(F)F)=O.CS(C)=O.[F:18][C:19]([P:37](=[O:42])([O:40][CH3:41])[O:38][CH3:39])([F:36])[CH:20]([OH:35])[CH:21]=[C:22]([CH3:34])[CH2:23][CH2:24][CH:25]=[C:26]([CH3:33])[CH2:27][CH2:28][CH:29]=[C:30]([CH3:32])[CH3:31].C(N(CC)CC)C>ClCCl.O>[F:36][C:19]([P:37](=[O:42])([O:40][CH3:41])[O:38][CH3:39])([F:18])[C:20](=[O:35])[CH:21]=[C:22]([CH3:34])[CH2:23][CH2:24][CH:25]=[C:26]([CH3:33])[CH2:27][CH2:28][CH:29]=[C:30]([CH3:32])[CH3:31] | 1 |
NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C(=O)N(C)C)N1C1=CC=C(C=C1)CO>ClCCl.ClS(Cl)=O>NC1=NC=CC=C1C1=NC=2C(=NC(=CC2)C(=O)N(C)C)N1C1=CC=C(C=C1)CCl | 3 |
[O:1]=[C:2]1[N:6]2[C:7]3[CH:14]=[CH:13][C:12]([N:15]4[CH2:20][CH2:19][O:18][CH2:17][C:16]4=[O:21])=[CH:11][C:8]=3[O:9][CH2:10][C@H:5]2[C@H:4]([CH2:22][N:23]2C(=O)C3C(=CC=CC=3)C2=O)[O:3]1.C(Cl)Cl.CO>C(O)C>[NH2:23][CH2:22][C@H:4]1[C@H:5]2[N:6]([C:7]3[CH:14]=[CH:13][C:12]([N:15]4[CH2:20][CH2:19][O:18][CH2:17][C:16]4=[O:21])=[CH:11][C:8]=3[O:9][CH2:10]2)[C:2](=[O:1])[O:3]1 | 1 |
[N:1]1[C:10]2[CH:9]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][N:16]3[C:24](=[O:25])[C:23]4[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=4)[C:17]3=[O:26])[CH2:8][CH2:7][CH2:6][C:5]=2[CH:4]=[CH:3][CH:2]=1.Br[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[C:31]([CH2:35][O:36][CH3:37])[N:30]=1.CCN(C(C)C)C(C)C>CC#N>[CH3:37][O:36][CH2:35][C:31]1[N:30]=[C:29]([CH2:28][N:11]([CH:9]2[C:10]3[N:1]=[CH:2][CH:3]=[CH:4][C:5]=3[CH2:6][CH2:7][CH2:8]2)[CH2:12][CH2:13][CH2:14][CH2:15][N:16]2[C:24](=[O:25])[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[C:17]2=[O:26])[CH:34]=[CH:33][CH:32]=1 | 1 |
[C:1]1([C:11](O)=O)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][N:2]=1.[C:14]([NH2:23])(=O)[C:15]1[C:16](=[CH:18][CH:19]=[CH:20][CH:21]=1)[NH2:17].[CH:24]1([NH2:30])[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]1>>[CH:24]1([NH:30][C:14]2[C:15]3[C:16](=[CH:18][CH:19]=[CH:20][CH:21]=3)[N:17]=[C:11]([C:1]3[C:10]4[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=4)[CH:4]=[CH:3][N:2]=3)[N:23]=2)[CH2:29][CH2:28][CH2:27][CH2:26][CH2:25]1 | 2 |
COC(C1=C(C=CC=C1[N+](=O)[O-])CBr)=O.N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C>O.C(C)(=O)OCC.C(=O)([O-])[O-].[Cs+].[Cs+].C(C)C(=O)C.[I-].[Li+]>COC(C1=C(C=CC=C1[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)=O | 3 |
BrC1=C(C(=C2N1CCN(C2)C(=O)OC(C)(C)C)C(=O)N2C=NC=C2)C2=CC(=CC=C2)F>>C(N)(=O)C=1C(=C(N2C1CN(CC2)C(=O)OC(C)(C)C)Br)C2=CC(=CC=C2)F | 5 |
ClC=1C=C2C(CCOC2=CC1OC1=CC=C(C=C1)C(NCCC1=C(C=C(C=C1)Cl)OC)=O)C(=O)OCC>>ClC=1C=C2C(CCOC2=CC1OC1=CC=C(C=C1)C(NCCC1=C(C=C(C=C1)Cl)OC)=O)C(=O)O | 5 |
C(=O)(OC(C)(C)C)N1CCNCC1.BrC1=CC=C(C(=N1)OCC1=C(C=C(C#N)C=C1)F)F>C1(=CC=CC=C1)C.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+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C(#N)C1=CC(=C(C=C1)COC1=C(C=CC(=N1)N1CCN(CC1)C(=O)OC(C)(C)C)F)F | 3 |
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][C:8]([CH3:16])([C:12]([O:14][CH3:15])=[O:13])[CH2:9]2)=[CH:4][CH:3]=1.[Cl:17][C:18]1[CH:23]=[CH:22][C:21](B(O)O)=[CH:20][CH:19]=1>>[Cl:17][C:18]1[CH:23]=[CH:22][C:21]([O:1][C:2]2[CH:11]=[C:10]3[C:5]([CH2:6][CH2:7][C:8]([CH3:16])([C:12]([O:14][CH3:15])=[O:13])[CH2:9]3)=[CH:4][CH:3]=2)=[CH:20][CH:19]=1 | 2 |
C1(CCCCC1)[C@H](C)OC=1C=C(C=CC1)C1=CC(=CC=C1)N1N=CC(=C1[C@H]1[C@@H](C1)C=1N=NN(C1)C)C(=O)O>O.C1CCCO1.CO[H].CS(=O)C.[OH-].[Ba+2].[OH-]>[OH-].C1(CCCCC1)[C@H](C)OC=1C=C(C=CC1)C1=CC(=CC=C1)N1N=CC(=C1[C@H]1[C@@H](C1)C=1N=NN(C1)C)C(=O)[O-].[Ba+2] | 3 |
S1C(=CC=C1)C#CCO>[HH].C(C)(=O)OCC.[Pd]>S1C(=CC=C1)CCCO | 3 |
C1(=CC=CC=C1)CC(=O)O.C(C1=CC=CC=C1)ON>CO[H].ClCCl.CCN(CC)CC.[HH].[Pd].Cl.C(C)N=C=NCCCN(C)C>ONC(CC1=CC=CC=C1)=O | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCOC[C@@H](C(=O)NC1=NC=C(C=C1)C#N)OC1=C2C(=NC=N1)N(N=C2)C2=C(C(=CC=C2)Cl)Cl>>C(#N)C=1C=CC(=NC1)NC([C@H](COCCO)OC1=C2C(=NC=N1)N(N=C2)C2=C(C(=CC=C2)Cl)Cl)=O | 5 |
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