smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC=1C=C(C=NC1)NCC1=CC(=C(C=C1)OC(C)C)OC(C)C.N1C=C(C=C1)B(O)O>CC#N.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].C([O-])([O-])=O.[Na+].[Na+]>C(C)(C)OC=1C=C(CNC=2C=NC=C(C2)C2=CNC=C2)C=CC1OC(C)C | 3 |
BrCC1=CC2=CC=CC=C2C=C1.FC(C(C(=O)O)(C)C)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC(C(C(=O)OCC1=CC2=CC=CC=C2C=C1)(C)C)(F)F | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=1)#[CH:2].[CH3:9][CH:10]1[CH2:15][CH:14]([CH3:16])[CH2:13][C:12](=O)[CH2:11]1>>[CH3:9][CH:10]1[CH2:15][CH:14]([CH3:16])[CH2:13][C:12]([C:2]#[C:1][C:3]2[CH:8]=[CH:7][CH:6]=[CH:5][N:4]=2)=[CH:11]1 | 1 |
[CH3:1][C:2]1([CH3:16])[C:6]([CH3:8])([CH3:7])[O:5][B:4]([C:9]2[CH:15]=[CH:14][CH:13]=[CH:12][C:10]=2[NH2:11])[O:3]1.[CH2:17]([S:21](Cl)(=[O:23])=[O:22])[CH:18]([CH3:20])[CH3:19]>>[CH3:8][C:6]1([CH3:7])[C:2]([CH3:16])([CH3:1])[O:3][B:4]([C:9]2[CH:15]=[CH:14][CH:13]=[CH:12][C:10]=2[NH:11][S:21]([CH2:17][CH:18]([CH3:20])[CH3:19])(=[O:23])=[O:22])[O:5]1 | 1 |
[N+](=O)([O-])C1=C(C=O)C=CC=C1.COC=1C=C2C(=CC=NC2=CC1OC)OC1=CC=C(N)C=C1>C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COC=1C=C2C(=CC=NC2=CC1OC)OC1=CCC(C=C1)=NCC1=C(C=CC=C1)[N+](=O)[O-] | 3 |
C(C1=CC=CC=C1)Cl.C(CC)O.C(C1=CC=CC=C1)(=O)NC1=NC(N(C=C1)[C@H]1[C@H](O)[C@H](O)[C@H](O)CO1)=O>>C(C1=CC=CC=C1)(=O)NC1=NC(N(C=C1)[C@H]1[C@H](OC(C2=CC=CC=C2)=O)[C@H](O)[C@H](O)CO1)=O | 5 |
NC=1C=CC(=NC1)Cl.COC=1C(C(=C(C(C1OC)=O)CC1=CC(=C(C(=O)O)C=C1)OC(C)=O)C)=O>>ClC1=CC=C(C=N1)NC(C1=C(C=C(C=C1)CC=1C(C(=C(C(C1C)=O)OC)OC)=O)O)=O | 5 |
COC=1C=C(C(=NC1)C(=O)O)OC[C@@H]1N(CCC1)C(=O)[C@@H]1CC[C@H](CC1)C(F)(F)F>ClCCl.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.[Cl-].[NH4+].O.ON1N=NC2=C1C=CC=C2>COC=1C=C(C(=NC1)C(=O)N)OC[C@@H]1N(CCC1)C(=O)[C@@H]1CC[C@H](CC1)C(F)(F)F | 3 |
BrC(CCCC(=O)OCC)C(C1=CC=C(C=C1)Cl)=O>>NC=1SC(=C(N1)C1=CC=C(C=C1)Cl)CCCC(=O)OCC | 5 |
[O:1]=[C:2]1[CH2:7][CH2:6][CH2:5][CH:4]([C:8]([OH:10])=[O:9])[CH2:3]1.[CH3:11][Si:12]([CH3:17])([CH3:16])[CH2:13][CH2:14]O.Cl.CN(C)CCCN=C=NCC>CN(C)C1C=CN=CC=1.C(Cl)Cl.Cl>[CH3:11][Si:12]([CH3:17])([CH3:16])[CH2:13][CH2:14][O:9][C:8]([CH:4]1[CH2:5][CH2:6][CH2:7][C:2](=[O:1])[CH2:3]1)=[O:10] | 1 |
[CH3:1][NH:2][C:3](=[O:5])[CH3:4].C([N-]C(C)C)(C)C.[Li+].Cl[C:15]1[C:16](=[O:27])[C:17]2[C:22]([C:23](=[O:26])[C:24]=1[Cl:25])=[CH:21][CH:20]=[CH:19][CH:18]=2>C1COCC1>[Cl:25][C:24]1[C:23](=[O:26])[C:22]2[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=2)[C:16](=[O:27])[C:15]=1[N:2]([CH3:1])[C:3](=[O:5])[CH3:4] | 2 |
BrCCCl.[NH2-].[Li+].FC(OC1=C(C=C(C=C1)CC#N)OC)F>>FC(OC1=C(C=C(C=C1)C1(CC1)C#N)OC)F | 5 |
C(CC)(=O)Cl.FC1=CC(=C(C(=O)OC)C=C1)O>>COC(C1=C(C=C(C(=C1)C(CC)=O)F)O)=O | 5 |
C([SiH2]O[C:7](C)(C)[C:8]1[CH:13]=[CH:12][C:11]([C:14]#[C:15][C:16]([CH:28]2[CH2:32][CH2:31][CH2:30][CH2:29]2)([OH:27])[CH2:17][C:18]2[O:23][C:22]([CH3:25])([CH3:24])[O:21][C:20](=[O:26])[CH:19]=2)=[CH:10][C:9]=1[CH2:33][CH3:34])(C)(C)C>CCO.[OH-].[OH-].[Pd+2]>[CH:28]1([C:16]([OH:27])([CH2:15][CH2:14][C:11]2[CH:12]=[CH:13][C:8]([CH3:7])=[C:9]([CH2:33][CH3:34])[CH:10]=2)[CH2:17][C:18]2[O:23][C:22]([CH3:24])([CH3:25])[O:21][C:20](=[O:26])[CH:19]=2)[CH2:32][CH2:31][CH2:30][CH2:29]1 | 1 |
[C:1]1([CH2:7][C:8]([O:10]CC)=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:13][C:14]([CH3:16])=[O:15].Cl>CCOCC>[C:1]1([CH2:7][C:8](=[O:10])[CH2:13][C:14](=[O:15])[CH3:16])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
BrCC(=O)N.N1(CCNCC1)C1=CC=C(C=C1)NC(=O)C=1C(=CC=CC1)C1=CC=C(C=C1)C(F)(F)F>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(N)(=O)CN1CCN(CC1)C1=CC=C(C=C1)NC(=O)C=1C(=CC=CC1)C1=CC=C(C=C1)C(F)(F)F | 3 |
[CH2:1]([S:7]([OH:10])(=[O:9])=[O:8])[CH2:2][S:3]([OH:6])(=[O:5])=[O:4].[CH3:11][N:12]([CH2:19][CH2:20][O:21][C:22]1[CH:35]=[CH:34][C:25]([CH2:26][CH:27]2[S:31][C:30](=[O:32])[NH:29][C:28]2=[O:33])=[CH:24][CH:23]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1>C(#N)C.O>[CH2:1]([S:7]([OH:10])(=[O:9])=[O:8])[CH2:2][S:3]([OH:6])(=[O:5])=[O:4].[CH3:11][N:12]([CH2:19][CH2:20][O:21][C:22]1[CH:35]=[CH:34][C:25]([CH2:26][CH:27]2[S:31][C:30](=[O:32])[NH:29][C:28]2=[O:33])=[CH:24][CH:23]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=1 | 2 |
[N:1]1[C:6]([NH2:7])=[CH:5][CH:4]=[CH:3][C:2]=1[NH2:8].C(N(CC)CC)C.[C:16](Cl)(=[O:18])[CH3:17]>ClCCl>[NH2:7][C:6]1[N:1]=[C:2]([NH:8][C:16](=[O:18])[CH3:17])[CH:3]=[CH:4][CH:5]=1 | 2 |
C(C1=CC=CC=C1)Br.BrC1=CC=C(C(=N1)C#N)O>>C(C1=CC=CC=C1)OC=1C(=NC(=CC1)Br)C#N | 5 |
Cl.[S:2]1[C:10]2[CH2:9][CH2:8][NH:7][CH2:6][C:5]=2[CH:4]=[CH:3]1.[C-:11]#[N:12].[Na+].[Cl:14][C:15]1[CH:22]=[CH:21][CH:20]=[CH:19][C:16]=1[CH:17]=O.S(S([O-])=O)([O-])(=O)=O.[Na+].[Na+]>O.CO>[Cl:14][C:15]1[CH:22]=[CH:21][CH:20]=[CH:19][C:16]=1[CH:17]([N:7]1[CH2:8][CH2:9][C:10]2[S:2][CH:3]=[CH:4][C:5]=2[CH2:6]1)[C:11]#[N:12] | 1 |
[Br-].C1(=CC=CC=C1)[Mg+].C(=O)[C@@H]1N(C(OC1)(C)C)C(=O)OCC1=CC=CC=C1>C1CCCO1.C(C)OCC.[Cl-].[NH4+]>OC([C@@H]1N(C(OC1)(C)C)C(=O)OCC1=CC=CC=C1)C1=CC=CC=C1 | 3 |
[C:1](Cl)(=[O:3])[CH3:2].C(N(C(C)C)CC)(C)C.[F:14][C:15]1[CH:16]=[C:17]([CH2:21][CH2:22][C@@H:23]2[CH2:27][CH2:26][CH2:25][NH:24]2)[CH:18]=[CH:19][CH:20]=1>C(Cl)Cl>[F:14][C:15]1[CH:16]=[C:17]([CH2:21][CH2:22][C@@H:23]2[CH2:27][CH2:26][CH2:25][N:24]2[C:1](=[O:3])[CH3:2])[CH:18]=[CH:19][CH:20]=1 | 1 |
[C:1]([C:5]1[N:6]=[C:7]([N:22]2[CH2:27][CH2:26]O[CH2:24][CH2:23]2)[C:8]2[N:13]=[N:12][N:11]([CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[Cl:21])[C:9]=2[N:10]=1)([CH3:4])([CH3:3])[CH3:2].C(C1N=C(Cl)C2N=NN(CC3C=CC=CC=3Cl)C=2N=1)(C)(C)C.Cl.[F:51][C@H]1CCNC1>>[C:1]([C:5]1[N:6]=[C:7]([N:22]2[CH2:27][CH2:26][C@H:24]([F:51])[CH2:23]2)[C:8]2[N:13]=[N:12][N:11]([CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=3[Cl:21])[C:9]=2[N:10]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
C(O)(C(F)(F)F)=O.[CH3:8][C:9]1([CH3:25])[O:14][C:13]2[CH:15]=[C:16](/[CH:19]=[CH:20]/[C:21]([OH:23])=O)[CH:17]=[N:18][C:12]=2[NH:11][C:10]1=[O:24].[CH3:26][NH:27][C@@H:28]([C:30]1[O:31][C:32]2[CH:40]=[CH:39][CH:38]=[CH:37][C:33]=2[C:34]=1[CH2:35][CH3:36])[CH3:29].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C.O>[CH3:25][C:9]1([CH3:8])[O:14][C:13]2[CH:15]=[C:16](/[CH:19]=[CH:20]/[C:21]([N:27]([C@@H:28]([C:30]3[O:31][C:32]4[CH:40]=[CH:39][CH:38]=[CH:37][C:33]=4[C:34]=3[CH2:35][CH3:36])[CH3:29])[CH3:26])=[O:23])[CH:17]=[N:18][C:12]=2[NH:11][C:10]1=[O:24] | 2 |
ClC1=C(C(=CC=C1)F)C1=NOC(=C1C(=O)NNC=O)C=1C=NN(C1C(F)(F)F)C1=CC(=CC=C1)Cl>>ClC1=C(C(=CC=C1)F)C1=NOC(=C1C=1SC=NN1)C=1C=NN(C1C(F)(F)F)C1=CC(=CC=C1)Cl | 5 |
[O:1]=[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][N:3]1[CH:11]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[CH2:12][C:13](O)=[O:14].[NH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(C(C)C)C(C)C)C>C(Cl)(Cl)Cl>[O:1]=[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][N:3]1[CH:11]([C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1)[CH2:12][C:13]([NH:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=1)=[O:14] | 1 |
S1C(=NC2=C1C=CC=C2)NC2=CC=C(C=C2)O.ClC1=NC=CC=C1N1CCC(CC1)OC>C1(=CC=CC=C1)C.[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.CC(C)(C)[O-].[Na+].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>COC1CCN(CC1)C=1C(=NC=CC1)OC1=CC=C(C=C1)NC=1SC2=C(N1)C=CC=C2 | 3 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]2[C:6](=O)[C:7](=O)[C:8]3[C:13]([C:14]=2[CH:15]=1)=[CH:12][C:11]([Br:16])=[CH:10][CH:9]=3.C(O)C.[CH2:22]([NH2:25])[CH2:23][NH2:24]>C(O)(=O)C>[Br:1][C:2]1[CH:15]=[C:14]2[C:5]([C:6]3[N:24]=[CH:23][CH:22]=[N:25][C:7]=3[C:8]3[C:13]2=[CH:12][C:11]([Br:16])=[CH:10][CH:9]=3)=[CH:4][CH:3]=1 | 2 |
Cl.CNC(C1=NC=CC(=C1)OC1=CC2=C(N=C(S2)N[C@@H]2CNCCC2)C=C1)=O>>CNC(C1=NC=CC(=C1)OC1=CC2=C(N=C(S2)N[C@@H]2CN(CCC2)S(=O)(=O)C)C=C1)=O | 5 |
[N:1]1[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[NH:3][C:2]=1[C:10]1[CH:19]=[CH:18][C:13]([C:14]([O:16][CH3:17])=[O:15])=[CH:12][CH:11]=1.C1C=C([Cl:26])C=C(C(OO)=O)C=1>CC(O)=O>[Cl:26][C:8]1[CH:7]=[CH:6][N:5]=[C:4]2[NH:3][C:2]([C:10]3[CH:19]=[CH:18][C:13]([C:14]([O:16][CH3:17])=[O:15])=[CH:12][CH:11]=3)=[N:1][C:9]=12 | 2 |
IC1=CC=NC(=C1C(=O)O)OC.Cl.C1(CCCCC1)NN>>C1(CCCCC1)NNC(C1=C(N=CC=C1I)OC)=O | 5 |
[CH2:1]([C:3]1[O:7][C:6]2[CH:8]=[CH:9][CH:10]=[CH:11][C:5]=2[CH:4]=1)[CH3:2].[Cl:12][S:13](O)(=[O:15])=[O:14].P(Cl)(Cl)(Cl)(Cl)Cl>C(Cl)Cl>[CH2:1]([C:3]1[O:7][C:6]2[CH:8]=[CH:9][CH:10]=[CH:11][C:5]=2[C:4]=1[S:13]([Cl:12])(=[O:15])=[O:14])[CH3:2] | 1 |
[CH3:1][CH:2]([S:4]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)(=[O:6])=[O:5])[CH3:3].C([Li])CCC.CO[C:20](Cl)=[O:21]>C1COCC1>[CH3:1][C:2]1([CH3:3])[S:4](=[O:5])(=[O:6])[C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[C:20]1=[O:21] | 1 |
[CH3:1][C:2]1([CH3:37])[CH2:7][CH2:6][C:5]([C:8]2[C:13]([NH:14][C:15]([C:17]3[N:18](COCC[Si](C)(C)C)[C:19]([C:22]#[N:23])=[CH:20][N:21]=3)=[O:16])=[CH:12][CH:11]=[C:10]([C:32]([O:34]CC)=[CH2:33])[N:9]=2)=[CH:4][CH2:3]1.CCO.C(O)(C(F)(F)F)=O>C(Cl)Cl>[C:32]([C:10]1[N:9]=[C:8]([C:5]2[CH2:6][CH2:7][C:2]([CH3:37])([CH3:1])[CH2:3][CH:4]=2)[C:13]([NH:14][C:15]([C:17]2[NH:18][C:19]([C:22]#[N:23])=[CH:20][N:21]=2)=[O:16])=[CH:12][CH:11]=1)(=[O:34])[CH3:33] | 1 |
BrCCCC1=C2C(C(=O)NC2=O)=CC=C1.[N+](=O)([O-])C=1N=CNC1>>[N+](=O)([O-])C=1N=C(NC1)CCCN1C(C2=CC=CC=C2C1=O)=O | 5 |
C(=C)B1OC(C)(C)C(C)(C)O1.ClC1=CC(=NC(=C1)Cl)N1CCOCC1>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=CC(=NC(=C1)C=C)N1CCOCC1 | 3 |
[NH2:1][C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[C:12]([F:15])([F:14])[F:13].[N:16]([O-])=O.[Na+].O.O.[Sn](Cl)[Cl:23]>Cl.O>[ClH:23].[NH:1]([C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[C:12]([F:13])([F:14])[F:15])[NH2:16] | 1 |
C(C1=CC=CC=C1)OC(=O)NCCCCCC(CC(=O)N)O>CO[H].Cl.[Pd]>Cl.NCCCCCC(CC(=O)N)O | 3 |
BrC=1C(=C(C=O)C=C(C1F)Cl)O>O.C1CCCO1.[Na+].[BH4-].Cl>BrC1=C(C(=CC(=C1F)Cl)CO)O | 3 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC1=NC=2CCCC(C2C=C1)(O)C>C1CCCO1.Cl>NC1=NC=2CCCC(C2C=C1)(O)C | 3 |
C(CCO)O.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)Cl>ClCCl.C(C)(C)N(C(C)C)CC>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCCCO | 3 |
[Br:1][C:2]1[C:3](=[O:17])[N:4]([CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[CH:11]=2)[CH:5]=[CH:6][C:7]=1[OH:8].C(=O)([O-])[O-].[K+].[K+].Br[CH:25]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[CH3:26]>CN(C=O)C>[Br:1][C:2]1[C:3](=[O:17])[N:4]([CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([F:16])[CH:11]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH:25]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[CH3:26] | 1 |
BrC1=CC=C(C(=C1C(=O)NC1=CC(=NC=C1)C(=O)N)F)C(F)(F)F.FC1=C(C=CC(=C1F)OC(C)C)O>[Cu]I.N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(OC2=CC=C(C(=C2C(=O)NC2=CC(=NC=C2)C(=O)N)F)C(F)(F)F)C=CC(=C1F)OC(C)C | 3 |
[CH2:1]([N:5]1[C:9](=[O:10])[C:8](Cl)=[C:7]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[S:6]1(=[O:19])=[O:18])[CH2:2][CH2:3][CH3:4].[CH2:20]([O:27][C:28]1[CH:33]=[CH:32][C:31]([NH2:34])=[CH:30][CH:29]=1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1.CCOC(C)=O>CN(C=O)C>[CH2:20]([O:27][C:28]1[CH:29]=[CH:30][C:31]([NH:34][C:8]2[C:9](=[O:10])[N:5]([CH2:1][CH2:2][CH2:3][CH3:4])[S:6](=[O:19])(=[O:18])[C:7]=2[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=[CH:32][CH:33]=1)[C:21]1[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=1 | 1 |
C1=C(C=CC2=CC=CC=C12)B(O)O.C(C)(C)(C)OC(=O)N(N)CC1=CC=CC=C1>CCN(CC)CC.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-].ClCCCl>C(C)(C)(C)OC(=O)N(NC1=CC2=CC=CC=C2C=C1)CC1=CC=CC=C1 | 3 |
C(C(C)(C)C)(=O)OCN1C=C(C=2C1=NC=C(N2)C2=NN(C1=CC(=CC=C21)C#N)C)C(NC(CO)(C)C)=O>>C(#N)C1=CC=C2C(=NN(C2=C1)C)C=1N=C2C(=NC1)NC=C2C(=O)NC(CO)(C)C | 5 |
COC=1C=C(C=CC1OC)C1=NN(C([C@@H]2CCCC[C@H]12)=O)C1CCN(CC1)C([C@@H](CC1=CC=C(C=C1)C)NC(OC(C)(C)C)=O)=O>Cl.O1CCOCC1>Cl.N[C@@H](C(=O)N1CCC(CC1)N1C([C@@H]2CCCC[C@@H]2C(=N1)C1=CC(=C(C=C1)OC)OC)=O)CC1=CC=C(C=C1)C | 3 |
BrCC(=O)OCC.N1(CCNCC1)CCCC1=C(NC=2CCCCC12)C=O>>C(C)OC(CN1CCN(CC1)CCCC1=C(NC=2CCCCC12)C=O)=O | 5 |
[CH3:1][O:2][C:3]1[CH:30]=[CH:29][C:6]([CH2:7][N:8]2[C:13]3[N:14]=[CH:15][C:16]([CH2:18][N:19]4[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]4)=[CH:17][C:12]=3[C:11]3=[N:25][CH:26]=[N:27][N:10]3[C:9]2=[O:28])=[CH:5][CH:4]=1.C(N(CC)CC)C.[CH3:38][S:39](Cl)(=[O:41])=[O:40]>C(#N)C>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([CH2:7][N:8]2[C:13]3[N:14]=[CH:15][C:16]([CH2:18][N:19]4[CH2:24][CH2:23][N:22]([S:39]([CH3:38])(=[O:41])=[O:40])[CH2:21][CH2:20]4)=[CH:17][C:12]=3[C:11]3=[N:25][CH:26]=[N:27][N:10]3[C:9]2=[O:28])=[CH:29][CH:30]=1 | 2 |
FC(C(=O)C1=CN(C2=CC(=CC=C12)OC)C(C)C)(F)F>[OH-].[Na+]>C(C)(C)N1C=C(C2=CC=C(C=C12)OC)C(=O)O | 3 |
[CH3:1][C:2]1([CH3:29])[C:10]2[CH:9]=[N:8][C:7]([S:11]([CH3:14])(=O)=O)=[N:6][C:5]=2[CH:4](C(OC)=O)[N:3]1[C:19]([O:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)=[O:20].[OH-].[Na+].[NH4+].[Cl-]>O1CCOCC1>[CH3:1][C:2]1([CH3:29])[C:10]2[CH:9]=[N:8][C:7]([S:11][CH3:14])=[N:6][C:5]=2[CH2:4][N:3]1[C:19]([O:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)=[O:20] | 2 |
BrC1=NC=C(C(=C1)CO)F.CC1(OB(OC1(C)C)C=1C=NC(=NC1)C(F)(F)F)C>>FC=1C(=CC(=NC1)C=1C=NC(=NC1)C(F)(F)F)CO | 5 |
[Cl:1][C:2]1[CH:31]=[C:30]([Cl:32])[CH:29]=[CH:28][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[NH:11][S:12]([C:15]1[CH:27]=[CH:26][C:18]([C:19]([NH:21][CH2:22][C:23](O)=[O:24])=[O:20])=[CH:17][CH:16]=1)(=[O:14])=[O:13].C(OC(=O)[NH:39][CH:40]1[CH2:45][CH2:44][NH:43][CH2:42][CH2:41]1)(C)(C)C>>[ClH:1].[NH2:39][CH:40]1[CH2:45][CH2:44][N:43]([C:23](=[O:24])[CH2:22][NH:21][C:19](=[O:20])[C:18]2[CH:26]=[CH:27][C:15]([S:12](=[O:13])(=[O:14])[NH:11][C:6]3[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=3[O:4][C:3]3[CH:28]=[CH:29][C:30]([Cl:32])=[CH:31][C:2]=3[Cl:1])=[CH:16][CH:17]=2)[CH2:42][CH2:41]1 | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC1=CC=C(C=C1)C=1N=C(N(C1C1=CC=C(C=C1)OC)CC(=O)OC)C1CCNCC1>ClCCl.CCN(CC)CC>COC1=CC=C(C=C1)C=1N=C(N(C1C1=CC=C(C=C1)OC)CC(=O)OC)C1CCN(CC1)C(N(C)O)=O | 3 |
C(C)(C)C1=CC=C(C=C1)C=1OC(=CN1)C=1C=C(C(=O)OC)C=CC1>>C(C)(C)C1=CC=C(C=C1)C=1OC(=CN1)C=1C=C(C(=O)O)C=CC1 | 5 |
C1(=CC=CC=C1)CN(C[C@H](O)C=1C=CC(=C(C1)NC=O)OCC1=CC=CC=C1)CC1=CC=CC=C1>CCO[H].[HH].[HH].C(C)(=O)OCC.[Pd]>C1(=CC=CC=C1)CN(C[C@H](O)C=1C=CC(=C(C1)NC=O)O)CC1=CC=CC=C1 | 3 |
N1C(=CC=C1)C(=O)O.FC1=C(C(=O)Cl)C(=CC(=C1)F)F>ClCCl.[Al](Cl)(Cl)Cl>FC1=C(C(=O)C=2C=C(NC2)C(=O)O)C(=CC(=C1)F)F | 3 |
C(C)(=O)C1=C(C=CC=C1)O>C1CCCO1.C(C)(=O)OCC.[H-].[Na+]>OC1=C(C=CC=C1)C(CC(C)=O)=O | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][CH:3]=1.Cl([O-])(=O)(=O)=O.[Li+].Cl[C:17]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25]([O:27][CH3:28])=[O:26])=[O:18].O>[N+](C)([O-])=O.[O-]S(C(F)(F)F)(=O)=O.[Sc+3].[O-]S(C(F)(F)F)(=O)=O.[O-]S(C(F)(F)F)(=O)=O>[CH3:9][O:8][C:5]1[CH:6]=[CH:7][C:2]([CH3:1])=[CH:3][C:4]=1[C:17](=[O:18])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25]([O:27][CH3:28])=[O:26] | 1 |
C(C)(C)(C)C1=NC2=C(N1CC1CCOCC1)C=CC(=C2)S(=O)(=O)N2N=CC(=C2)C(=O)O>>C(C)(C)(C)C1=NC2=C(N1CC1CCOCC1)C=CC(=C2)S(=O)(=O)N2N=CC(=C2)C(=O)NC(C)C | 5 |
C(C1=CC=CC=C1)O.ClC1=NC=CC2=C(C=CC=C12)Br>C1(=CC=CC=C1)C.C([O-])([O-])=O.[K+].[K+].[OH-].[K+].COCCOCCN(CCOCCOC)CCOCCOC>C(C1=CC=CC=C1)OC1=NC=CC2=C(C=CC=C12)Br | 3 |
BrC=1C=NC=2C(CCC2C1)O>ClCCl.C([O-])([O-])=O.[Na+].[Na+].C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>BrC=1C=C2C(=NC1)C(CC2)=O | 3 |
Cl.[F:2][C:3]([F:21])([F:20])[C:4]1[C:5]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][C:17]([OH:19])=O)[CH2:12][CH2:11]2)=[N:6][CH:7]=[CH:8][CH:9]=1.[NH2:22][C@@H:23]([CH2:41][O:42][CH2:43][C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1)[C:24]([NH:26][C:27]1[CH:32]=[CH:31][C:30]([O:33][C:34]2[CH:39]=[CH:38][C:37]([F:40])=[CH:36][CH:35]=2)=[CH:29][CH:28]=1)=[O:25]>>[CH2:43]([O:42][CH2:41][C@H:23]([NH:22][C:17](=[O:19])[CH2:16][N:13]1[CH2:12][CH2:11][N:10]([C:5]2[C:4]([C:3]([F:2])([F:21])[F:20])=[CH:9][CH:8]=[CH:7][N:6]=2)[CH2:15][CH2:14]1)[C:24]([NH:26][C:27]1[CH:32]=[CH:31][C:30]([O:33][C:34]2[CH:39]=[CH:38][C:37]([F:40])=[CH:36][CH:35]=2)=[CH:29][CH:28]=1)=[O:25])[C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[NH:13][N:12]=[N:11][N:10]=2)=[CH:5][CH:4]=1.C([O-])([O-])=O.[K+].[K+].[CH2:20]([O:27][C:28](=[O:31])[CH2:29]Br)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>CN(C=O)C.C(OCC)(=O)C>[CH2:20]([O:27][C:28](=[O:31])[CH2:29][N:13]1[C:9]([C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)=[N:10][N:11]=[N:12]1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 2 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[NH:6][C:7]3[C:12]([C:13]=2[CH:14]=1)=[CH:11][CH:10]=[CH:9][CH:8]=3.C1([C:21]2[C:33]3[NH:32][C:31]4[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=4)[C:25]=3[CH:24]=[C:23](B(O)O)[CH:22]=2)C=CC=CC=1.C(=O)([O-])[O-].[K+].[K+]>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C.C(COC)OC>[C:2]1([N:6]2[C:5]3[CH:4]=[CH:3][C:2]([C:23]4[CH:22]=[CH:21][C:33]5[NH:32][C:31]6[C:26]([C:25]=5[CH:24]=4)=[CH:27][CH:28]=[CH:29][CH:30]=6)=[CH:14][C:13]=3[C:12]3[C:7]2=[CH:8][CH:9]=[CH:10][CH:11]=3)[CH:3]=[CH:4][CH:5]=[CH:13][CH:14]=1 | 1 |
[CH3:1][O:2][C:3](=[O:40])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][CH2:12][C:13]2[C:21]3[C:16](=[CH:17][CH:18]=[C:19]([Cl:22])[CH:20]=3)[N:15]([CH:23]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:14]=2[CH2:36][CH2:37][CH2:38]O)=[CH:6][CH:5]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(Br)(Br)(Br)[Br:61]>C(Cl)Cl>[CH3:1][O:2][C:3](=[O:40])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][CH2:12][C:13]2[C:21]3[C:16](=[CH:17][CH:18]=[C:19]([Cl:22])[CH:20]=3)[N:15]([CH:23]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)[C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:14]=2[CH2:36][CH2:37][CH2:38][Br:61])=[CH:6][CH:5]=1 | 1 |
[CH2:1]([O:4][C:5]1[CH:6]=[C:7]([CH:17]=[C:18]([O:20][CH3:21])[CH:19]=1)[O:8][C:9]1[CH:16]=[CH:15][C:12]([CH:13]=O)=[CH:11][CH:10]=1)[CH:2]=[CH2:3].[CH3:22][C:23]1[C:29]([N+:30]([O-:32])=[O:31])=[CH:28][CH:27]=[CH:26][C:24]=1[NH2:25]>>[CH2:1]([O:4][C:5]1[CH:6]=[C:7]([CH:17]=[C:18]([O:20][CH3:21])[CH:19]=1)[O:8][C:9]1[CH:16]=[CH:15][C:12]([CH2:13][NH:25][C:24]2[CH:26]=[CH:27][CH:28]=[C:29]([N+:30]([O-:32])=[O:31])[C:23]=2[CH3:22])=[CH:11][CH:10]=1)[CH:2]=[CH2:3] | 1 |
Cl.CNOC.ClC1=C(C=CC=C1)C=1N(C=C(N1)C(=O)Cl)C1=CC=C(C=C1)Cl>ClCCl.CCN(CC)CC>ClC1=C(C=CC=C1)C=1N(C=C(N1)C(=O)N(C)OC)C1=CC=C(C=C1)Cl | 3 |
[C:1]([NH:8][C:9]1([C:13]([OH:15])=[O:14])[CH2:12][CH2:11][CH2:10]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].C(Cl)CCl.N1C=CC=CC=1.[CH2:26](O)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>ClCCl.CN(C1C=CN=CC=1)C>[CH2:26]([O:14][C:13]([C:9]1([NH:8][C:1]([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2])[CH2:12][CH2:11][CH2:10]1)=[O:15])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1 | 1 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][CH:3]=1.[CH2:10]([NH2:16])[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15].CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.CC([O-])=O.CC([O-])=O.[Pd+2]>[CH2:10]([NH:16][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][CH:3]=1)[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15] | 1 |
C1(=CC=CC=C1)O.ClC1=CC(=NC=N1)N>>O(C1=CC=CC=C1)C1=CC(=NC=N1)N | 5 |
FC=1C=CC(=NC1)O.BrC1=C(C=C(C=C1)I)OC>>BrC1=C(C=C(OC2=NC=C(C=C2)F)C=C1)OC | 5 |
C(C1=CC=CC=C1)N(C1=C(C=CC(=C1)N1CCN(CC1)C(C1=CC=CC=C1)=O)[N+](=O)[O-])C1=CC=CC=C1>[Na+].[BH4-].CCO[H].[O-]S(=O)(=O)[O-].[Cu+2]>C(C1=CC=CC=C1)N(C1=CC=CC=C1)C=1C=C(C=CC1N)N1CCN(CC1)C(=O)C1=CC=CC=C1 | 3 |
Cl.COC([C@@H](N)CC1=CC=CC=C1)=O.[N+](=O)([O-])CCC(C(=O)O)CC>>N[C@@H](CC1=CC=CC=C1)C(=O)O | 5 |
C(C=CC)(=O)Cl.COC([C@@H](NC1=C(SC=C1C)C)C)=O>O.ClCCl.C([O-])([O-])=O.[K+].[K+]>COC([C@@H](N(C1=C(SC=C1C)C)C(C=CC)=O)C)=O | 3 |
I[Si](C)(C)C.BrC=1C=C(C=2C(=CN(C2C1)C(C)C)C)C(=O)NCC=1C(=CC(=NC1OC)NC(OC(C)(C)C)=O)C>CC#N.ClCCl>CO.[OH-].[NH4+].NC1=CC(=C(C(N1)=O)CNC(=O)C=1C=2C(=CN(C2C=C(C1)Br)C(C)C)C)C | 3 |
BrC1=CC=C(C(=C1)C1=CC=C(C=C1)CBr)C#N.C(CCC)C1=NC2(C(N1)=O)CCOCC2>N(C)(C)C=O.[H-].[Na+]>BrC1=CC=C(C(=C1)C1=CC=C(C=C1)CN1C(=NC2(C1=O)CCOCC2)CCCC)C#N | 3 |
F[C:2]1[C:7]([F:8])=[CH:6][C:5]([F:9])=[C:4]([F:10])[N:3]=1.[CH:11]([NH2:14])([CH3:13])[CH3:12]>C(#N)C>[F:10][C:4]1[C:5]([F:9])=[CH:6][C:7]([F:8])=[C:2]([NH:14][CH:11]([CH3:13])[CH3:12])[N:3]=1 | 1 |
Cl.[NH2:2][C:3]1[N:12]=[C:11]([CH:13]2[CH2:18][CH2:17][N:16]([C:19](=[O:35])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][NH:27]C(OC(C)(C)C)=O)[CH2:15][CH2:14]2)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]=1>>[NH2:2][C:3]1[N:12]=[C:11]([CH:13]2[CH2:18][CH2:17][N:16]([C:19](=[O:35])[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][NH2:27])[CH2:15][CH2:14]2)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]=1 | 1 |
C(#N)CC(CN1CCN(CC1)C(=O)OC(C)(C)C)N1C=C(C=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C>>Cl.N1(CCNCC1)CC(CC#N)N1C=C(C=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C | 5 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([I:8])=[CH:4][N:3]=1.Cl[CH2:10][CH:11]=O>C(#N)C>[I:8][C:5]1[CH:6]=[CH:7][C:2]2[N:3]([CH:10]=[CH:11][N:1]=2)[CH:4]=1 | 1 |
Cl[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][N:3]=1.[NH:12]1[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1>CS(C)=O.O>[N:12]1([C:2]2[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][N:3]=2)[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1 | 1 |
[Cl:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](Cl)=[O:5].O[N:12]=[C:13]([NH2:15])[CH3:14]>N1C=CC=CC=1>[Cl:1][C:2]1[C:3]([C:4]2[O:5][N:15]=[C:13]([CH3:14])[N:12]=2)=[CH:7][CH:8]=[CH:9][N:10]=1 | 1 |
C(C)(C)(C)OC(=O)N1C(C(CC1)OCC1=CC=CC=C1)CC(CN1C=NC2=C(C1=O)N=CC=C2)O>ClCCl.C[N+]1(CCOCC1)[O-].[Ru](=O)(=O)(=O)[O-].C(CC)[N+](CCC)(CCC)CCC>C(C)(C)(C)OC(=O)N1C(C(CC1)OCC1=CC=CC=C1)CC(CN1C=NC2=C(C1=O)N=CC=C2)=O | 3 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH2:7])=[CH:4][CH:3]=1.Cl[C:11]1[C:16]([N+:17]([O-:19])=[O:18])=[CH:15][CH:14]=[C:13]([Cl:20])[N:12]=1.C([O-])([O-])=O.[K+].[K+]>CC#N>[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([CH2:6][NH:7][C:11]2[C:16]([N+:17]([O-:19])=[O:18])=[CH:15][CH:14]=[C:13]([Cl:20])[N:12]=2)=[CH:4][CH:3]=1 | 1 |
Cl.[N+](=O)([O-])C1=CC=C(CCN)C=C1.ClC=1N=C(C2=C(N1)N=CC=C2)Cl>O.ClCCl.CCN(CC)CC.C(C)(C)O>ClC=1N=C(C2=C(N1)N=CC=C2)NCCC2=CC=C(C=C2)[N+](=O)[O-] | 3 |
Br[C:2]1[CH:3]=[C:4]([OH:21])[C:5]([C:12]([NH:14][CH2:15][C:16]([O:18]CC)=[O:17])=[O:13])=[C:6]2[C:11]=1[N:10]=[CH:9][CH:8]=[N:7]2.[C:22]1(B2OC(C)(C)C(C)(C)O2)[CH2:27][CH2:26][CH2:25][CH2:24][CH:23]=1.C(=O)([O-])[O-].[K+].[K+].[OH-].[Na+]>O1CCOCC1.O.CO.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>[C:22]1([C:2]2[CH:3]=[C:4]([OH:21])[C:5]([C:12]([NH:14][CH2:15][C:16]([OH:18])=[O:17])=[O:13])=[C:6]3[C:11]=2[N:10]=[CH:9][CH:8]=[N:7]3)[CH2:27][CH2:26][CH2:25][CH2:24][CH:23]=1 | 2 |
ClC1=CC=C(N)C=C1.BrC1=CC(=C(C=CC(=O)O)C=C1)F>>BrC1=CC(=C(C=C1)C=CC(=O)NC1=CC=C(C=C1)Cl)F | 5 |
[CH:1]1[CH:6]=[CH:5][C:4]([CH2:7][O:8][CH2:9][C@@H:10]([N:14]([CH2:33][C:34]([OH:36])=[O:35])[CH2:15][CH2:16][N:17]([CH2:29][C:30]([OH:32])=[O:31])[CH2:18][CH2:19][N:20]([CH2:25][C:26]([OH:28])=[O:27])[CH2:21][C:22]([OH:24])=[O:23])[C:11]([OH:13])=[O:12])=[CH:3][CH:2]=1.[NH:37]([CH2:39][C@@H:40]([C@H:42]([C@@H:44]([C@@H:46]([CH2:48][OH:49])[OH:47])[OH:45])[OH:43])[OH:41])[CH3:38]>O>[CH:1]1[CH:6]=[CH:5][C:4]([CH2:7][O:8][CH2:9][C@@H:10]([N:14]([CH2:33][C:34]([OH:36])=[O:35])[CH2:15][CH2:16][N:17]([CH2:29][C:30]([OH:32])=[O:31])[CH2:18][CH2:19][N:20]([CH2:21][C:22]([OH:24])=[O:23])[CH2:25][C:26]([OH:28])=[O:27])[C:11]([OH:13])=[O:12])=[CH:3][CH:2]=1.[NH:37]([CH2:39][C@@H:40]([C@H:42]([C@@H:44]([C@@H:46]([CH2:48][OH:49])[OH:47])[OH:45])[OH:43])[OH:41])[CH3:38] | 1 |
C[O:2][C:3](=[O:30])[C:4]1[CH:9]=[CH:8][C:7]([C:10]2[N:15]=[C:14]3[N:16]([CH2:19][C:20]4[C:25]([F:26])=[CH:24][CH:23]=[C:22]([F:27])[C:21]=4[Cl:28])[N:17]=[N:18][C:13]3=[CH:12][CH:11]=2)=[CH:6][C:5]=1[F:29].[OH-].[Na+].Cl>CO.C1COCC1.O>[Cl:28][C:21]1[C:22]([F:27])=[CH:23][CH:24]=[C:25]([F:26])[C:20]=1[CH2:19][N:16]1[C:14]2=[N:15][C:10]([C:7]3[CH:8]=[CH:9][C:4]([C:3]([OH:30])=[O:2])=[C:5]([F:29])[CH:6]=3)=[CH:11][CH:12]=[C:13]2[N:18]=[N:17]1 | 1 |
BrC=1C(=NN(C1)C)C(=O)OC.FC1=CC=2C3=C(NC2C=C1)C=NN3C3OCCCC3>>FC1=CC=2C3=C(N(C2C=C1)C=1C(=NN(C1)C)C(=O)O)C=NN3C3OCCCC3 | 5 |
C(C)(=O)Cl.Cl[Si](C)(C)C.NC1=C(C(C(O1)C1=CC=C(C=C1)F)=O)O>O.C1CCCO1.CCN(CC)CC.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.S(=O)(=O)([O-])[O-].[NH4+].[NH4+]>OC1=C(OC(=C1O)C1=CC=C(C=C1)Cl)NC(C)=O | 3 |
C(OC(=O)[NH:7][C@@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[N:21]=[C:20]3[C:16]([N:17]=[CH:18][N:19]3[C@@H:22]3[CH2:26][C@H:25]([N:27]4[CH:31]=[C:30]([CH2:32][CH3:33])[CH:29]=[N:28]4)[C@@H:24]([OH:34])[C@H:23]3[OH:35])=[C:15]([NH:36][CH2:37][CH:38]([C:45]3[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=3)[C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[N:14]=2)[CH2:9]1)(C)(C)C.Cl>CO.O1CCOCC1>[NH2:7][C@@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[N:21]=[C:20]3[C:16]([N:17]=[CH:18][N:19]3[C@@H:22]3[CH2:26][C@H:25]([N:27]4[CH:31]=[C:30]([CH2:32][CH3:33])[CH:29]=[N:28]4)[C@@H:24]([OH:34])[C@H:23]3[OH:35])=[C:15]([NH:36][CH2:37][CH:38]([C:45]3[CH:46]=[CH:47][CH:48]=[CH:49][CH:50]=3)[C:39]3[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=3)[N:14]=2)[CH2:9]1 | 1 |
C[Si](C)(C)Cl.N[C@@H](C(=O)N[C@@H]([C@@H](C)C1=CC=CC=C1)C1=NC2=C(N1)C=C(C=C2)I)C2=CC=C(C=C2)OCC(N(CCO)CCO)=O>>N[C@@H](C(=O)N[C@@H]([C@@H](C)C1=CC=CC=C1)C1=NC2=C(N1)C=C(C=C2)I)C2=CC=C(C=C2)OCC(N(CCO[Si](C)(C)C)CCO[Si](C)(C)C)=O | 5 |
COC(CC1(CC1)CS)=O>>C(C)(=O)[O-].SCC1CC1.[Na+] | 5 |
FC1=CC=C(C=C1)C=1N(C2=CC=C(C=C2C1C)O)CC1=CC=C(C=C1)OCCOCCOCCOCC(=O)OCC>CO[H].Cl.[OH-].[Li+]>FC1=CC=C(C=C1)C=1N(C2=CC=C(C=C2C1C)O)CC1=CC=C(C=C1)OCCOCCOCCOCC(=O)O | 3 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][C:11]([O:14][C:15]([F:18])([F:17])[F:16])=[CH:10][CH:9]=2)[N:5]=[CH:4][N:3]=1.[CH3:19][N:20](C)C=O>O.[C-]#N.[C-]#N.[Zn+2].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.[Fe+2].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]>[F:16][C:15]([F:18])([F:17])[O:14][C:11]1[CH:12]=[CH:13][C:8]([C:6]2[N:5]=[CH:4][N:3]=[C:2]([C:19]#[N:20])[CH:7]=2)=[CH:9][CH:10]=1 | 2 |
C(#N)C1=C(O[C@@H]2[C@@H](CN(CC2)C(=O)OC(C)(C)C)F)C=CC(=C1)B1OC(C(O1)(C)C)(C)C.ClC1=NC(=NC=N1)NC1=CC=C(C=C1)N1CCN(CC1)CC1COC1>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C1=C(O[C@@H]2[C@@H](CN(CC2)C(=O)OC(C)(C)C)F)C=CC(=C1)C1=NC=NC(=N1)NC1=CC=C(C=C1)N1CCN(CC1)CC1COC1 | 3 |
C1(=CC=CC=C1)C(=O)C=1OC(=CC1)C(=O)OC.C(C1=CC=CC=C1)NN>CO[H].C(C)(=O)O>C(C1=CC=CC=C1)NN=C(C=1OC(=CC1)C(=O)OC)C1=CC=CC=C1 | 3 |
COC1=CC=C(CN2N=CC(=C2)C=2N=C(SC2)NC2=NC=CC=C2)C=C1>N(C)(C)C=O.BrN1C(CCC1=O)=O>COC1=CC=C(CN2N=CC(=C2)C=2N=C(SC2Br)NC2=NC=CC=C2)C=C1 | 3 |
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