smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CI.CC1(CCC(O1)=O)C>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+].[Cl-].[NH4+]>CC1C(OC(C1)(C)C)=O | 3 |
ClC1=C(C=CC(=C1)Cl)C1=CC=2N(C(=N1)NCCNC(OC(C)(C)C)=O)C=CN2>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.ClC1=C(C=CC(=C1)Cl)C1=CC=2N(C(=N1)NCCN)C=CN2 | 3 |
[H-].[Na+].[CH3:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[NH:6][CH:5]=1.[C:13]1([S:19](Cl)(=[O:21])=[O:20])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.[Li]CCCC>CN(C=O)C.CO>[C:13]1([S:19]([N:6]2[C:7]3[C:12](=[CH:11][CH:10]=[CH:9][CH:8]=3)[C:4]([CH3:3])=[CH:5]2)(=[O:21])=[O:20])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH2:8][C:9]([C:11]2[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=2)=O)[CH:5]=[CH:6][CH:7]=1.Cl.O([NH2:20])C>C(O)(=O)C.[Pd]>[F:1][C:2]1[CH:3]=[C:4]([CH2:8][CH:9]([NH2:20])[C:11]2[CH:12]=[N:13][CH:14]=[CH:15][CH:16]=2)[CH:5]=[CH:6][CH:7]=1 | 1 |
FC1=C(C(=O)OC)C=C(C(=C1)NS(=O)(=O)C1=NC=C(C=C1)C1=CC(=NC=C1)C(C)C)F>CO[H].[OH-].[Li+]>FC1=C(C(=O)O)C=C(C(=C1)NS(=O)(=O)C1=NC=C(C=C1)C1=CC(=NC=C1)C(C)C)F | 3 |
CN(C)C/C=C/C(=O)Cl.NC1=CC=C(C=C1)CCN1C(C(=CC2=C1N=C(N=C2)NC)C2=C(C(=CC(=C2Cl)OC)OC)Cl)=O>>ClC1=C(C(=C(C=C1OC)OC)Cl)C1=CC2=C(N=C(N=C2)NC)N(C1=O)CCC1=CC=C(C=C1)NC(\C=C\CN(C)C)=O | 5 |
C(C)[S-].[Na+].ClC=1C(=NC=C(C1)C1CC1)C1=NC=2C(=NC=C(C2)C(F)(F)F)N1C>N(C)(C)C=O.C(C)OCC.CCCCCC>C1(CC1)C=1C=C(C(=NC1)C1=NC=2C(=NC=C(C2)C(F)(F)F)N1C)SCC | 3 |
CN(C)\C=N\C1=CN=C(C=C1C(=O)OC)OC>CC#N.C1CCCO1.C(CCC)[Li].C(C)(=O)O>OC1=C(C=NC2=CN=C(C=C12)OC)C#N | 3 |
C(C)OC(CC)OCC.C(#N)C1=NN(C=C1C=O)C1=C(C=C(C=C1Cl)C(F)(F)F)Cl>O.C1CCCO1.C(C)OCC.C(CCC)[Li]>C(#N)C1=NN(C=C1C(C#CC(OCC)OCC)O)C1=C(C=C(C=C1Cl)C(F)(F)F)Cl | 3 |
C(C1=CC=2OCOC2C=C1)(=O)Cl.ClC=1C(=CC(NC1)=O)O>c1ccncc1>ClC=1C(=CC(NC1)=O)OC(C1=CC=2OCOC2C=C1)=O | 3 |
[F:1][C:2]1[CH:11]=[C:10]([F:12])[CH:9]=[C:8]2[C:3]=1[C:4]([NH:20][C:21]1[C:26](I)=[CH:25][N:24]=[C:23]([N:28]3[CH2:33][CH2:32][O:31][CH2:30][CH2:29]3)[CH:22]=1)=[C:5]([CH3:19])[C:6]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)=[N:7]2.C(OC([N:41]1[CH:45]=[C:44](B2OC(C)(C)C(C)(C)O2)[CH:43]=[N:42]1)=O)(C)(C)C.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.[O-]P([O-])([O-])=O.[K+].[K+].[K+]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].O.O1CCOCC1>[F:1][C:2]1[CH:11]=[C:10]([F:12])[CH:9]=[C:8]2[C:3]=1[C:4]([NH:20][C:21]1[C:26]([C:44]3[CH:45]=[N:41][NH:42][CH:43]=3)=[CH:25][N:24]=[C:23]([N:28]3[CH2:33][CH2:32][O:31][CH2:30][CH2:29]3)[CH:22]=1)=[C:5]([CH3:19])[C:6]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1)=[N:7]2 | 2 |
[F:1][C:2]1[C:3]([OH:20])=[C:4]([C:10]([NH:14][C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:11]([F:13])[CH:12]=1)[C:5]([O:7][CH2:8][CH3:9])=[O:6].C(N(C(C)C)CC)(C)C.[CH3:30][O:31][CH2:32]Cl.Cl>ClCCl>[F:1][C:2]1[C:3]([O:20][CH2:30][O:31][CH3:32])=[C:4]([C:10]([NH:14][C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:11]([F:13])[CH:12]=1)[C:5]([O:7][CH2:8][CH3:9])=[O:6] | 1 |
C(C)OC(=O)C=1C=NC2=CC=C(C=C2C1NC1=C(N=CS1)C(=O)OC(C)(C)C)OC(F)(F)F>N(C)(C)C=O.ClCCl.C(=O)(C(F)(F)F)O>C(C)OC(=O)C=1C=NC2=CC=C(C=C2C1NC1=C(N=CS1)C(=O)O)OC(F)(F)F | 3 |
FC(C1=NC=C(C=C1)C=C)(F)F.CC1=CC2=C(NC3=C2CN2CCCC2C3)N=C1>>CC1=CC2=C(N(C3=C2CN2CCCC2C3)CCC=3C=NC(=CC3)C(F)(F)F)N=C1 | 5 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C:16]2[C:15](=[O:17])[N:13]([CH3:14])[C:12](=[O:18])[N:11]([CH3:19])[C:10]=2[N:9]=[CH:8]1.[C-:20]#[N:21].[K+]>CN(C)C=O>[C:20]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C:16]2[C:15](=[O:17])[N:13]([CH3:14])[C:12](=[O:18])[N:11]([CH3:19])[C:10]=2[N:9]=[CH:8]1)#[N:21] | 1 |
CC1=CC=C(CNC=2C3=CC=CC=C3N=C3CCCC(C23)=O)C=C1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC1=CC=C(CNC=2C3=CC=CC=C3N=C3CCCC(C23)O)C=C1 | 3 |
[C:1]1([C:7]2([C:19]([NH2:21])=O)[CH2:11][CH2:10][N:9]([CH2:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-].O.[OH-].[Na+]>O1CCCC1>[C:1]1([C:7]2([CH2:19][NH2:21])[CH2:11][CH2:10][N:9]([CH2:12][C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH2:8]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(C)OC(=O)[C@H]1C[C@@H]([C@@H](CC1)NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C>>C(C1=CC=CC=C1)OC(N[C@H]1[C@H](C[C@@H](CC1)C(=O)N(C)C)NC(=O)OC(C)(C)C)=O | 5 |
[C:1]1([C:7]2[NH:12][CH2:11][CH:10](COS(C3C=CC(C)=CC=3)(=O)=O)[O:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:25]1[C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28][CH2:27][NH:26]1.[C:35](=O)([O-])[O-].[K+].[K+]>ClC1C=CC=CC=1>[C:1]1([C:7]2[N:12]([CH3:35])[CH2:11][CH:10]([N:26]3[CH2:27][CH2:28][C:29]4[C:34](=[CH:33][CH:32]=[CH:31][CH:30]=4)[CH2:25]3)[O:9][N:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[N:9]=[C:10]=[S:11].[NH2:12][CH2:13][C:14]([NH2:16])=[O:15]>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Cl:8])[C:3]=1[NH:9][C:10](=[S:11])[NH:12][CH2:13][C:14]([NH2:16])=[O:15] | 1 |
[OH:1][C:2]1[CH:3]=[CH:4][CH:5]2[CH:10]([CH:11]=1)[NH:9][C:8](=[O:12])[CH2:7][CH2:6]2.C1C(=O)N([Br:20])C(=O)C1>>[Br:20][C:3]1[C:2]([OH:1])=[CH:11][CH:10]2[CH:5]([CH2:6][CH2:7][C:8](=[O:12])[NH:9]2)[CH:4]=1 | 1 |
N1C[C@H](CC1)O.C(C)C(CN1CCC(CC1)COC1=CC=C(C=C1)C1=CC(=C(C=C1)C(=O)O)F)(CC)F>>C(C)C(CN1CCC(CC1)COC1=CC=C(C=C1)C1=CC(=C(C=C1)C(=O)N1C[C@H](CC1)O)F)(CC)F | 5 |
CC1=C2CCN(C2=CC(=C1[N+](=O)[O-])C)C(CC1=NC=CC=C1)=O>>CC1=C2CCN(C2=CC(=C1N)C)C(CC1=NC=CC=C1)=O | 5 |
C(C1=CC=CC=C1)C=1C(=CC(=NC1)Cl)N>CC#N.O.N(=O)OC(C)(C)C.[Cu]Br>C(C1=CC=CC=C1)C=1C(=CC(=NC1)Cl)Br | 3 |
[CH:1]1([C:7]#[CH:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[C:9]([O:13][C:14]([NH:16][CH2:17][C:18]1[CH:23]=[CH:22][C:21](Br)=[CH:20][CH:19]=1)=[O:15])([CH3:12])([CH3:11])[CH3:10].C(N(CC)CC)C>CN(C=O)C.O.CCCCCC.CCOC(C)=O.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.[Cu]I>[C:9]([O:13][C:14]([NH:16][CH2:17][C:18]1[CH:23]=[CH:22][C:21]([C:8]#[C:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)=[CH:20][CH:19]=1)=[O:15])([CH3:12])([CH3:11])[CH3:10] | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.BrC1=CC=C(C=C1)C=1N=C(SC1)NCCN>>BrC1=CC=C(C=C1)C=1N=C(SC1)N1C(NCC1)=O | 5 |
O1CC1(C)C.BrC=1C(=C2C=NNC2=CC1)Cl>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=C(C2=CN(N=C2C=C1)CC(C)(O)C)Cl | 3 |
[OH:1][C:2]1[CH:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)[O:5][C:4](=[O:13])[CH:3]=1.[CH:14](=O)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[F:22][C:23]1[CH:31]=[C:30]2[C:26]([C:27]([CH2:32][CH2:33][NH:34][C:35](=[O:37])[CH3:36])=[CH:28][NH:29]2)=[CH:25][CH:24]=1>>[F:22][C:23]1[CH:31]=[C:30]2[C:26]([C:27]([CH2:32][CH2:33][NH:34][C:35](=[O:37])[CH3:36])=[C:28]([CH:14]([C:3]3[C:4](=[O:13])[O:5][CH:6]([C:7]4[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=4)[C:2]=3[OH:1])[C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[NH:29]2)=[CH:25][CH:24]=1 | 1 |
CS(=O)(=O)Cl.NC=1C=C(C(=O)N(C)OC)C=CN1>c1ccncc1>CS(=O)(=O)NC=1C=C(C(=O)N(C)OC)C=CN1 | 3 |
CI.C(#N)CCCCCSC1=NSN=C1C=1C=NC=CC1>CC(=O)C>[I-].C(#N)CCCCCSC1=NSN=C1C=1C=[N+](C=CC1)C | 3 |
C(C)(=O)N[C@@H](CC(C)C)C(=O)O.N[C@@H](CCCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)C(=O)N>CC#N.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(C)(=O)N[C@H](C(=O)N[C@@H](CCCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)C(=O)N)CC(C)C | 3 |
COC1=C(C#N)C=CC(=C1)OC>>Cl.COC1=C(C(OCC)=N)C=CC(=C1)OC | 5 |
COC(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O.CC1=CC=C(S1)C=O>>COC(C=CC=1SC(=CC1)C)=O | 5 |
C(C1=CC=CC=C1)OCC=1C(=NC=CC1C(CC(=O)OC(C)(C)C)(CC)O)OC>CCO[H].[Pd]>OC(CC(=O)OC(C)(C)C)(CC)C1=C(C(=NC=C1)OC)CO | 3 |
ClC1=CC=C(S1)C=O.C(C)P(=O)(CC)CS(=O)(=O)OCC>C1CCCO1.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC>C(C)OS(=O)(=O)C=CC=1SC(=CC1)Cl | 3 |
FC=1C(=NOC1CO)OC[C@H](C)NC(OC(C)(C)C)=O>>FC=1C(=NOC1C=O)OC[C@H](C)NC(OC(C)(C)C)=O | 5 |
C(#N)C1=NC=CC=C1F>C1CCCO1.II.C(C)(C)[N-]C(C)C.[Li+]>FC=1C(=NC=CC1I)C#N | 3 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([Br:8])=[N:6][CH:7]=1.[CH3:9][C:10](=O)[CH2:11][CH2:12][C:13](=O)[CH3:14]>C1(C)C=CC(S(O)(=O)=O)=CC=1.C1(C)C=CC=CC=1>[Br:8][C:5]1[CH:4]=[CH:3][C:2]([N:1]2[C:13]([CH3:14])=[CH:12][CH:11]=[C:10]2[CH3:9])=[CH:7][N:6]=1 | 1 |
C(C)C=1NC2=C(N1)C=CC=C2.ClC=1N=C(C2=C(N1)SC(=N2)C(=O)N2CC(C2)N2CCOCC2)N2CCOCC2>N(C)(C)C=O.[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.C(=O)([O-])[O-].[Cs+].[Cs+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(C)C1=NC2=C(N1C=1N=C(C3=C(N1)SC(=N3)C(=O)N3CC(C3)N3CCOCC3)N3CCOCC3)C=CC=C2 | 3 |
CSC1=NC=2N(C(N1)=O)N=CC2C(F)(F)F>>ClC1=NC(=NC=2N1N=CC2C(F)(F)F)SC | 5 |
[C:1]([O:5][C:6](=[O:17])[N:7]([CH2:14][CH2:15][OH:16])[CH2:8][CH:9](O)[CH:10]([CH3:12])[CH3:11])([CH3:4])([CH3:3])[CH3:2].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CCOC(/N=N/C(OCC)=O)=O>C1(C)C=CC=CC=1>[C:1]([O:5][C:6]([N:7]1[CH2:14][CH2:15][O:16][CH:9]([CH:10]([CH3:12])[CH3:11])[CH2:8]1)=[O:17])([CH3:4])([CH3:3])[CH3:2] | 1 |
C(C)OC(CC(=O)NC1=CC(=NN1)C(=O)OCC)=O>O.C1(=CC=NC=C1)N(C)C.CCO[H]>OC1=NC=2N(C(=C1)O)N=C(C2)C(=O)OCC | 3 |
[C:1]([OH:9])(=O)[C:2]1[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=1.[C:10]1([CH:16]([NH2:26])[C:17]2[NH:25][C:20]3=[CH:21][N:22]=[CH:23][CH:24]=[C:19]3[CH:18]=2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>>[C:10]1([CH:16]([C:17]2[NH:25][C:20]3=[CH:21][N:22]=[CH:23][CH:24]=[C:19]3[CH:18]=2)[NH:26][C:1](=[O:9])[C:2]2[CH:3]=[CH:4][N:5]=[CH:6][CH:7]=2)[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1 | 1 |
BrCC(=O)OCC.C1(CCCC1)NC1=CC=CC=2N1N=C(C2C2=NC(=NC=C2)NC2CCCC2)C2=CC=C(C=C2)O>>C1(CCCC1)NC1=CC=CC=2N1N=C(C2C2=NC(=NC=C2)NC2CCCC2)C2=CC=C(OCC(=O)OCC)C=C2 | 5 |
Cl.[F:2][C:3]1[CH:4]=[C:5]([N:9]([CH2:33][CH2:34][C:35]([O:37]CC)=[O:36])[C:10]([C:12]2[CH:32]=[CH:31][C:15]3[N:16]([CH3:30])[C:17]([CH2:19][NH:20][C:21]4[CH:26]=[CH:25][C:24]([C:27](=[NH:29])[NH2:28])=[CH:23][CH:22]=4)=[N:18][C:14]=3[CH:13]=2)=[O:11])[CH:6]=[CH:7][CH:8]=1.[OH-].[Na+]>ClCCl.C(O)C>[F:2][C:3]1[CH:4]=[C:5]([N:9]([CH2:33][CH2:34][C:35]([OH:37])=[O:36])[C:10]([C:12]2[CH:32]=[CH:31][C:15]3[N:16]([CH3:30])[C:17]([CH2:19][NH:20][C:21]4[CH:26]=[CH:25][C:24]([C:27](=[NH:28])[NH2:29])=[CH:23][CH:22]=4)=[N:18][C:14]=3[CH:13]=2)=[O:11])[CH:6]=[CH:7][CH:8]=1 | 1 |
N1=NC=C(C=C1)NC(OC1=CC=CC=C1)=O.Cl.FC(C)(S(=O)(=O)C=1C=CC(=NC1)OC)C1CCNCC1>>FC(C)(S(=O)(=O)C=1C=NC(=CC1)OC)C1CCN(CC1)C(=O)NC1=CN=NC=C1 | 5 |
BrC=1C(=NC=NC1C(F)(F)F)Cl>CO[H].C[O-].[Na+]>BrC=1C(=NC=NC1C(F)(F)F)OC | 3 |
C[O:2][C:3]([C:5]1([C:15]([CH3:18])([CH3:17])[CH3:16])[CH2:9][C:8]2[CH:10]=[C:11]([OH:14])[CH:12]=[CH:13][C:7]=2[O:6]1)=[O:4].[Cl:19][C:20]1[CH:25]=[C:24]([O:26][C:27]([F:30])([F:29])[F:28])[CH:23]=[CH:22][C:21]=1[O:31][CH2:32][CH2:33]I>>[C:15]([C@@:5]1([C:3]([OH:2])=[O:4])[CH2:9][C:8]2[CH:10]=[C:11]([O:14][CH2:33][CH2:32][O:31][C:21]3[CH:22]=[CH:23][C:24]([O:26][C:27]([F:28])([F:29])[F:30])=[CH:25][C:20]=3[Cl:19])[CH:12]=[CH:13][C:7]=2[O:6]1)([CH3:18])([CH3:17])[CH3:16] | 1 |
[F:1][C@H:2]1[C@H:8]([NH:9]C(=O)OC(C)(C)C)[CH2:7][CH2:6][C@@H:5]([C:17]2[N:21]([CH3:22])[N:20]=[CH:19][C:18]=2[N+:23]([O-])=O)[O:4][CH2:3]1.[F:26][C:27]1[CH:32]=[C:31]([CH2:33][O:34][CH3:35])[CH:30]=[C:29]([F:36])[C:28]=1[C:37]1[N:42]=[C:41]([C:43](O)=[O:44])[CH:40]=[CH:39][C:38]=1[F:46]>>[NH2:9][C@H:8]1[C@H:2]([F:1])[CH2:3][O:4][C@H:5]([C:17]2[N:21]([CH3:22])[N:20]=[CH:19][C:18]=2[NH:23][C:43](=[O:44])[C:41]2[CH:40]=[CH:39][C:38]([F:46])=[C:37]([C:28]3[C:29]([F:36])=[CH:30][C:31]([CH2:33][O:34][CH3:35])=[CH:32][C:27]=3[F:26])[N:42]=2)[CH2:6][CH2:7]1 | 1 |
C(C)(C)(C)[S@@](=O)NC(C)C=1C(=C(C=CC1)C(C(=O)N(C)C)(F)F)F>ClCCl.Cl>Cl.NC(C)C=1C(=C(C=CC1)C(C(=O)N(C)C)(F)F)F | 3 |
NCCC1=CNC=N1.ClC1=[N+](C=CC(=C1)[N+](=O)[O-])[O-]>C([O-])(O)=O.[K+].C(C)(C)O>N1C=NC(=C1)CCNC1=CC(=NC=C1)Cl | 3 |
[C:1]([C:4]1[CH:5]=[C:6]([S:10]([N:13]([CH3:15])[CH3:14])(=[O:12])=[O:11])[CH:7]=[CH:8][CH:9]=1)(=[O:3])[CH3:2].[C:16](=O)([O:20]CC)[O:17][CH2:18][CH3:19]>>[CH2:18]([O:17][C:16](=[O:20])[CH2:2][C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([S:10](=[O:12])(=[O:11])[N:13]([CH3:14])[CH3:15])[CH:5]=1)=[O:3])[CH3:19] | 2 |
[C:1](/[N:3]=[C:4](/OCC)\[CH2:5][CH3:6])#[N:2].[CH2:10]([NH2:17])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>CCO>[CH2:10]([NH:17]/[C:4](=[N:3]/[C:1]#[N:2])/[CH2:5][CH3:6])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 2 |
CS(O[C@@H:6]1[C:16]2[C:11](=[N:12][CH:13]=[CH:14][CH:15]=2)[C@H:10]([O:17][Si:18]([CH:25]([CH3:27])[CH3:26])([CH:22]([CH3:24])[CH3:23])[CH:19]([CH3:21])[CH3:20])[CH2:9][CH2:8][C@H:7]1[C:28]1[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[C:29]=1[F:35])(=O)=O.[Li+].[B-](CC)(CC)CC.CCOC(C)=O.CCCCCC>C1COCC1>[F:35][C:29]1[C:30]([F:34])=[CH:31][CH:32]=[CH:33][C:28]=1[C@@H:7]1[CH2:8][CH2:9][C@@H:10]([O:17][Si:18]([CH:22]([CH3:24])[CH3:23])([CH:25]([CH3:27])[CH3:26])[CH:19]([CH3:20])[CH3:21])[C:11]2=[N:12][CH:13]=[CH:14][CH:15]=[C:16]2[CH2:6]1 | 1 |
FC1(OC2=C(O1)C=CC(=C2)C2(CC2)C(=O)N[C@@H]2C[C@@H](OCC2)C2=C(C=C(C(=O)OC)C=C2)C)F>>FC1(OC2=C(O1)C=CC(=C2)C2(CC2)C(=O)N[C@@H]2C[C@@H](OCC2)C2=C(C=C(C(=O)O)C=C2)C)F | 5 |
C(C1=CC=CC=C1)Br.ClC1=C(C=C(C=N1)O)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=NC=C(C=C1F)OCC1=CC=CC=C1 | 3 |
BrC1=C(C=CC(=C1F)Cl)CC1(CCCC1)N=C=O>O.CC(C)(C)O>BrC1=C(CC2(CCCC2)NC(OC(C)(C)C)=O)C=CC(=C1F)Cl | 3 |
C(#C)C1=CC=C(C=C1)CN(C)C>C1(=CC=CC=C1)C.CC1(OBOC1(C)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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[RuH]>CN(CC1=CC=C(C=C1)\C=C\B1OC(C(O1)(C)C)(C)C)C | 3 |
NCC=1C=C2C(=NC1C)N(C(=C2)C(=O)NC(C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)CC>>C(C)(=O)NCC=1C=C2C(=NC1C)N(C(=C2)C(=O)NC(C(F)(F)F)C2=CC(=CC=C2)C(F)(F)F)CC | 5 |
[N+:1]([C:4]1[C:9]2[N:10]=[C:11]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[CH2:12][O:13][C:8]=2[CH:7]=[CH:6][CH:5]=1)([O-])=O>CO>[C:14]1([CH:11]2[NH:10][C:9]3=[C:4]([NH2:1])[CH:5]=[CH:6][CH:7]=[C:8]3[O:13][CH2:12]2)[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
CO.[CH3:3][Si](C=[N+]=[N-])(C)C.[F:10][C:11]1[CH:34]=[CH:33][C:14]([CH2:15][N:16]2[CH2:25][CH2:24][C:23]3[C:22]([C:26]([O:28][CH2:29][CH3:30])=[O:27])=[N:21][CH:20]=[C:19]([OH:31])[C:18]=3[C:17]2=[O:32])=[CH:13][CH:12]=1.C(O)(=O)C>C(Cl)(Cl)Cl>[F:10][C:11]1[CH:34]=[CH:33][C:14]([CH2:15][N:16]2[CH2:25][CH2:24][C:23]3[C:22]([C:26]([O:28][CH2:29][CH3:30])=[O:27])=[N:21][CH:20]=[C:19]([O:31][CH3:3])[C:18]=3[C:17]2=[O:32])=[CH:13][CH:12]=1 | 1 |
CC=1N=NC=C(C1C(=O)OCC)C>>CC=1N=NC=C(C1C(=O)O)C | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([O:10][CH3:11])[CH:9]=1)[CH:5]=[O:6].[BH4-].[Na+].Cl.[H][H]>C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([O:10][CH3:11])[CH:9]=1)[CH2:5][OH:6] | 1 |
NC=1S[C@]2(C[C@H]2[C@@](N1)(CF)C1=C(C=CC(=C1)Br)F)/C=C/C(=O)N1CCOCC1>C1CCCO1.[Cl-].[NH4+].[BH4-].[Li+]>NC=1S[C@]2(C[C@H]2[C@@](N1)(CF)C1=C(C=CC(=C1)C#C)F)/C=C/C(=O)N1CCOCC1 | 3 |
CC1=C(C(=NC=C1)N)C.CC(C)(C)OC(=O)N1CC[C@H](C1)C(=O)O.ClC1=CC(=CC2=C1OCCCO2)CNCC(C)C>ClCCl.Cl.C(C)N=C=NCCCN(C)C>C(C)(C)(C)OC(=O)N1C[C@@H](CC1)C(=O)N(CC(C)C)CC1=CC2=C(OCCCO2)C(=C1)Cl | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[C:9]([C:13]#N)=[N:8][C:7]([C:15]#[N:16])=[C:6]2[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.[OH-:23].[Na+].Cl.[OH2:26]>CCO>[C:15]([C:7]1[N:8]=[C:9]([C:13]([OH:26])=[O:23])[C:10]2[C:5]([C:6]=1[C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1)=[CH:4][C:3]([O:2][CH3:1])=[CH:12][CH:11]=2)#[N:16] | 1 |
[Cl:1][C:2]1[C:7]([N:8]2[CH2:13][C@H:12]([CH3:14])[O:11][C@H:10]([CH3:15])[CH2:9]2)=[C:6]([CH:16]=O)[N:5]=[C:4]2[C:18]([C:21]3[S:25][C:24]([CH3:26])=[N:23][CH:22]=3)=[N:19][O:20][C:3]=12.[NH:27]1[C:34](=[O:35])[CH2:33][C:31](=[O:32])[NH:30][C:28]1=[O:29]>C(O)(C)C>[Cl:1][C:2]1[C:3]2[O:20][N:19]=[C:18]([C:21]3[S:25][C:24]([CH3:26])=[N:23][CH:22]=3)[C:4]=2[N:5]=[C:6]2[C:7]=1[N:8]1[CH2:9][C@@H:10]([CH3:15])[O:11][C@@H:12]([CH3:14])[C@@H:13]1[C:33]1([C:31](=[O:32])[NH:30][C:28](=[O:29])[NH:27][C:34]1=[O:35])[CH2:16]2 | 1 |
NC1CN(C1)C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C(C)(C)(C)OC(=O)N1CC(C1)NS(=O)(=O)C | 3 |
C1(CC1)N1C(=NC2=C1CCC(C2=O)C(=O)[C@@H]2OC(O[C@H]2C2=CC=CC=C2)(C)C)C>O1CCOCC1.[O-2].[O-2].[Mn+4]>C1(CC1)N1C(=NC2=C1C=CC(=C2O)C(=O)[C@@H]2OC(O[C@H]2C2=CC=CC=C2)(C)C)C | 3 |
[O:1]=[C:2]([CH3:9])[CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5].[CH:10]1(Br)[CH2:14][CH2:13][CH2:12][CH2:11]1.[O-]CC.[Na+]>C(O)C>[CH:10]1([CH:3]([C:2](=[O:1])[CH3:9])[C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH2:14][CH2:13][CH2:12][CH2:11]1 | 1 |
C(C=C)O.ClP(C1=CC=CC=C1)C1=CC=CC=C1>C(C)OCC.c1ccncc1>C(C=C)P(C1=CC=CC=C1)(C1=CC=CC=C1)=O | 3 |
FC=1C=C(C=C(C1B1OC(C(O1)(C)C)(C)C)F)CO.ClC=1N=CC2=C(N1)C(=NN2COCC[Si](C)(C)C)C=2C=NN(C2)C>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>FC=1C=C(C=C(C1C=1N=CC2=C(N1)C(=NN2COCC[Si](C)(C)C)C=2C=NN(C2)C)F)CO | 3 |
[H-].[Na+].[C:3]([C:5]1[CH:6]=[CH:7][C:8]2[O:13][C:12]([CH3:15])([CH3:14])[C@@H:11](O)[C@H:10]([N:17]3[CH2:22][CH2:21][CH2:20][CH2:19][C:18]3=[O:23])[C:9]=2[CH:24]=1)#[N:4]>O1CCCC1>[C:3]([C:5]1[CH:6]=[CH:7][C:8]2[O:13][C:12]([CH3:15])([CH3:14])[CH:11]=[C:10]([N:17]3[CH2:22][CH2:21][CH2:20][CH2:19][C:18]3=[O:23])[C:9]=2[CH:24]=1)#[N:4] | 1 |
[CH2:1]1[CH2:6][CH2:5][CH:4]([CH2:7][CH2:8][CH2:9][C:10]([OH:12])=O)[CH2:3][CH2:2]1.S(Cl)([Cl:15])=O>>[CH:4]1([CH2:7][CH2:8][CH2:9][C:10]([Cl:15])=[O:12])[CH2:5][CH2:6][CH2:1][CH2:2][CH2:3]1 | 1 |
ClC(CC(=O)OCC)=O.NCC1(CCCC1)C(=O)OCC>O.ClCCl>C(C)OC(CC(=O)NCC1(CCCC1)C(=O)OCC)=O | 3 |
C([Li])CCC.C(NC(C)C)(C)C.[C:13]([O:17][C:18]([NH:20][C@H:21]([C@H:29]1[O:33][C:32](=[O:34])[CH2:31][CH2:30]1)[CH2:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]1)=[O:19])([CH3:16])([CH3:15])[CH3:14].[C:35]1(=[O:41])[CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]1.[Cl-].[NH4+]>O1CCCC1.CCCCCC>[C:13]([O:17][C:18]([NH:20][C@H:21]([C@H:29]1[O:33][C:32](=[O:34])[C@H:31]([C:35]2([OH:41])[CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]2)[CH2:30]1)[CH2:22][CH:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1)=[O:19])([CH3:16])([CH3:14])[CH3:15] | 1 |
CC[Mg+].[Br-].C(C)(C)(C)OC(NC(C(CC)=O)C1=CC=C(C=C1)OC(F)(F)F)=O>C1CCCO1.C(C)OCC.Cl>C(C)(C)(C)OC(NC(C(CC)(O)CC)C1=CC=C(C=C1)OC(F)(F)F)=O | 3 |
C1(CC1)COC1=C(C#N)C=C(C=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=CC(=C(C#N)C1)OCC1CCC1>>C1(CCC1)COC1=C(C#N)C=C(C=C1)B1OC(C(O1)(C)C)(C)C | 3 |
CN1C(=NC2=C1C(=CC=C2)C=C)N.C(C1=CC=CC=C1)OC(=O)N1C(C2=CC=CC=C2C1=O)=O>>C(C1=CC=CC=C1)OC(/N=C/1\NC2=C(N1C)C(=CC=C2)C=C)=O | 5 |
[Cl:1][C:2]1[CH:10]=[C:6]([C:7]([OH:9])=[O:8])[C:5]([OH:11])=[CH:4][CH:3]=1.[C:12](=O)([O-])[O-].[K+].[K+].CI.[OH-].[Na+]>O.C(O)C.CN(C)C=O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:11][CH3:12])=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8] | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)(F)[C@@H](C)C1=CC(=CC(=C1)F)F>Cl.O1CCOCC1>Cl.FC=1C=C(C=C(C1)F)[C@H](C)C1(CCNCC1)F | 3 |
[CH3:1][NH:2][NH2:3].[Cl:4][C:5]1[CH:10]=[C:9]([Cl:11])[CH:8]=[CH:7][C:6]=1[C:12](=O)[C:13]([CH3:19])=[C:14](SC)[S:15][CH3:16]>C(#N)C>[Cl:4][C:5]1[CH:10]=[C:9]([Cl:11])[CH:8]=[CH:7][C:6]=1[C:12]1[C:13]([CH3:19])=[C:14]([S:15][CH3:16])[N:2]([CH3:1])[N:3]=1 | 1 |
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[N:7][NH:8]2)=[CH:4][CH:3]=1.[H-].[Na+].S(O[CH:24]1[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]1)(C1C=CC(C)=CC=1)(=O)=O>CN(C=O)C>[F:1][C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[N:7][N:8]2[CH:24]2[CH2:29][CH2:28][N:27]([C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])[CH2:26][CH2:25]2)=[CH:4][CH:3]=1 | 1 |
COC=1C=C(C=C(C1)OC)NC1=C(C(=O)NN)C=CC=N1.Cl.CS(=O)(=O)C1=CC=C(C(=N)N)C=C1>c1ccncc1.CCN(CC)CC>COC=1C=C(C=C(C1)OC)NC1=NC=CC=C1C1=NN=C(N1)C1=CC=C(C=C1)S(=O)(=O)C | 3 |
NC1=NC=NC(=C1C#N)Cl.FC=1C=CC2=C(N(C(=N2)[C@H](C)N)C)C1C1=NC=CC=C1>C(C)(C)N(C(C)C)CC.CC(C)O>NC1=NC=NC(=C1C#N)N[C@@H](C)C1=NC2=C(N1C)C(=C(C=C2)F)C2=NC=CC=C2 | 3 |
[CH:1]1([C:4]2[CH:5]=[N:6][C:7]([NH:14][C:15]3[CH:16]=[C:17]4[C:21](=[CH:22][CH:23]=3)[N:20]([CH2:24][CH:25]([CH3:27])[CH3:26])[N:19]=[CH:18]4)=[C:8]([CH:13]=2)[C:9]([O:11]C)=[O:10])[CH2:3][CH2:2]1.[OH-].[Na+].Cl>O1CCCC1.CO>[CH:1]1([C:4]2[CH:5]=[N:6][C:7]([NH:14][C:15]3[CH:16]=[C:17]4[C:21](=[CH:22][CH:23]=3)[N:20]([CH2:24][CH:25]([CH3:27])[CH3:26])[N:19]=[CH:18]4)=[C:8]([CH:13]=2)[C:9]([OH:11])=[O:10])[CH2:2][CH2:3]1 | 2 |
CS(O)(=O)=O.[CH:6]1[CH:7]=CC2NC=C(C(O[C@@H]3C[C@H]4N5CC(=O)[C@@H](C4)C[C@@H]5C3)=O)[C:10]=2[CH:11]=1.O.[C:31]([O:38][CH3:39])(=[O:37])[CH2:32][C:33]([O:35][CH3:36])=[O:34].ClC/C=C\CCl.[H-].[Li+]>CN(C)C=O>[CH3:36][O:35][C:33]([C:32]1([C:31]([O:38][CH3:39])=[O:37])[CH2:10][CH:11]=[CH:6][CH2:7]1)=[O:34] | 2 |
[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[CH2:8]([S:10]([N:13]1[CH2:18][CH2:17][CH:16]([C:19]2[C:27]3[C:22](=[C:23]([C:38]([NH2:40])=[O:39])[CH:24]=[C:25]([C:28]4[CH:33]=[C:32]([CH2:34][NH:35][CH3:36])[CH:31]=[CH:30][C:29]=4[F:37])[CH:26]=3)[NH:21][CH:20]=2)[CH2:15][CH2:14]1)(=[O:12])=[O:11])[CH3:9].[CH3:41]N>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[CH:3]1([CH2:36][NH:35][CH2:34][C:32]2[CH:31]=[CH:30][C:29]([F:37])=[C:28]([C:25]3[CH:26]=[C:27]4[C:22](=[C:23]([C:38]([NH2:40])=[O:39])[CH:24]=3)[NH:21][CH:20]=[C:19]4[CH:16]3[CH2:17][CH2:18][N:13]([S:10]([CH2:8][CH3:9])(=[O:11])=[O:12])[CH2:14][CH2:15]3)[CH:33]=2)[CH2:2][CH2:41]1 | 1 |
BrC1=CC(=C(C=C1)Cl)CC1=CC=C(C=C1)CC>>ClC1=C(C=C(C=C1)[Mg]Br)CC1=CC=C(C=C1)CC | 5 |
[N+:1]([C:4]1[CH:5]=[CH:6][C:7]2[O:11][C:10]([C:12]([NH:14][C:15]3[CH:16]=[C:17]4[C:21](=[CH:22][CH:23]=3)[NH:20][C:19]([C:24]([OH:26])=[O:25])=[CH:18]4)=[O:13])=[CH:9][C:8]=2[CH:27]=1)([O-])=O.[N+](C1C=C2C(=CC=1)NC(C(O)=O)=C2)([O-])=O>>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]2[O:11][C:10]([C:12]([NH:14][C:15]3[CH:16]=[C:17]4[C:21](=[CH:22][CH:23]=3)[NH:20][C:19]([C:24]([OH:26])=[O:25])=[CH:18]4)=[O:13])=[CH:9][C:8]=2[CH:27]=1 | 1 |
C(C)S(=O)(=O)N[C@@H]1[C@@H](N(CC1(F)F)C(=O)OC(C)(C)C)CC1=C(C(=CC=C1)C(C)C1=NC=CC=C1C)F>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C)S(=O)(=O)N[C@@H]1[C@@H](N(CC1(F)F)C(=O)OC(C)(C)C)CC1=C(C(=CC=C1)C(C)C1=[N+](C=CC=C1C)[O-])F | 3 |
[CH3:1][N:2]([CH3:45])[CH2:3][CH2:4][C:5]([O:7][CH:8]([C:26](=[O:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]/[CH:34]=[CH:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:6].[BH4-].[Na+]>CO>[CH3:45][N:2]([CH3:1])[CH2:3][CH2:4][C:5]([O:7][CH:8]([CH:26]([OH:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]/[CH:34]=[CH:35]\[CH2:36]/[CH:37]=[CH:38]\[CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[O:6] | 1 |
ClS(=O)(=O)C1=C(C=C(C=C1)F)CC(=O)OC.NC1=CC=C2[C@@H]3[C@H](COC2=C1C(=O)OC)C3>>FC1=CC(=C(C=C1)S(=O)(=O)NC1=CC=C2[C@@H]3[C@H](COC2=C1C(=O)OC)C3)CC(=O)OC | 5 |
NC1CCN(CC1)C(=O)OC(C)(C)C.ClC1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1>>C1(=CC=CC=C1)C1=NC(=NC2=CC=CC=C12)NC1CCNCC1 | 5 |
BrC1=CC=C(CNC(OC(C)(C)C)=O)C=C1.C1(CCCCC1)C#C>>C(C)(C)(C)OC(=O)NCC1=CC=C(C=C1)C#CC1CCCCC1 | 5 |
COC(=O)C1=NC(=CC=C1)C(=O)OC>O.Cl.[OH-].[Na+]>COC(=O)C1=CC=CC(=N1)C(=O)O | 3 |
C1(CC1)C(CC(=O)OC(C)(C)C)=O>CO[H].[Mg].C(Cl)(Cl)(Cl)Cl>[Mg].C1(CC1)C(CC(=O)OC(C)(C)C)=O | 3 |
C(C)(C)(C)OC(N[C@@H](C)C1=NC2=C(N1[C@@H]1C[C@@H](C1)OC)C=C(C=C2)F)=O>>FC=1C=CC2=C(N(C(=N2)[C@H](C)N)[C@@H]2C[C@@H](C2)OC)C1 | 5 |
[O-]CC.[Na+].[Na].Cl.[C:7]([NH2:10])(=[NH:9])[CH3:8].[C:11](OCC)(=[O:18])[CH2:12][C:13](OCC)=[O:14]>C(O)C>[OH:14][C:13]1[CH:12]=[C:11]([OH:18])[N:10]=[C:7]([CH3:8])[N:9]=1 | 1 |
[Br:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH:12]=1)[C:7](OCC)=[O:8].[BH4-].[Na+].CO.O>C(O)(C)(C)C>[Br:1][C:2]1[CH:12]=[C:6]([CH2:7][OH:8])[CH:5]=[N:4][CH:3]=1 | 1 |
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