Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(C)(C)(C)[Si](C)(C)Cl.C(C1=CC=CC=C1)N1CCOC(C(C1)C1=CC(=C(C=C1)Cl)Cl)CO>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(C1=CC=CC=C1)N1CCOC(C(C1)C1=CC(=C(C=C1)Cl)Cl)CO[Si](C)(C)C(C)(C)C
3
C(C)N1N=CN=C1>ClCCl.C=O>C(C)N1N=CN=C1CO
3
CC(C(C)(C)C)=O.C(C)(C)(C)N1C(C=2N(C3=CC=CC=C13)C=NC2C(=O)OCC)=O>C1CCCO1.[H-].[Na+].C(C)(=O)O>C(C)(C)(C)N1C(C=2N(C3=CC=CC=C13)C=NC2C(CC(C(C)(C)C)=O)=O)=O
3
[CH3:1][C@@:2]12[C:18](=[O:19])[CH2:17][CH2:16][C@H:15]1[C@H:14]1[C@@H:5]([C:6]3[CH:7]=[CH:8][C:9]([OH:20])=[CH:10][C:11]=3[CH2:12][CH2:13]1)[CH2:4][CH2:3]2.[CH3:21][NH:22][S:23]([O-:26])(=[O:25])=[O:24].B.[Na]>O1CCCC1.CO>[CH3:1][C@@:2]12[C@@H:18]([OH:19])[CH2:17][CH2:16][C@H:15]1[C@H:14]1[C@@H:5]([C:6]3[CH:7]=[CH:8][C...
1
C(CCCCCCCCCCCCCCCCCC)C1=CC=NC=C1>>NC1=NC=CC(=C1)CCCCCCCCCCCCCCCCCCC
5
[F:1][C:2]([F:13])([F:12])[C:3]1[CH:11]=[CH:10][C:6]([C:7](O)=[O:8])=[CH:5][CH:4]=1.C(Cl)(=O)C([Cl:17])=O>CN(C)C=O.C(Cl)Cl>[F:1][C:2]([F:13])([F:12])[C:3]1[CH:11]=[CH:10][C:6]([C:7]([Cl:17])=[O:8])=[CH:5][CH:4]=1
1
[N:1]1[C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[S:3][C:2]=1[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[NH:16][C:17]([C:19]1C=C(OCCN2CCOCC2)C=[C:21]([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[N:20]=1)=[O:18].[N:40]1([C:46]2[N:51]=C(C3C=CC=CC=3)N=C(C(O)=O)[CH:47]=2)[CH2:45][CH2:44][O:43][CH2:42][CH2:41]1.N1C2C(=NC=...
2
[CH3:1][CH2:2][C:3](=O)[CH2:4][CH3:5].[CH2:7]([NH2:14])[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.C(O[CH:18]=[C:19]([C:25]([O:27]CC)=O)[C:20]([O:22][CH2:23][CH3:24])=[O:21])C>C1(C)C=CC=CC=1>[CH2:7]([N:14]1[C:3]([CH2:4][CH3:5])=[C:2]([CH3:1])[CH:18]=[C:19]([C:20]([O:22][CH2:23][CH3:24])=[O:21])[C:25]1=[O:27])[C:8]1[CH...
1
[C:1]([C:3]1[C:7](C)=[CH:6][S:5][C:4]=1[N:9]=[CH:10]OCC)#[N:2].[CH3:14][C:15]1[CH:24]=[C:23]([CH2:25][CH2:26][CH3:27])[CH:22]=[C:21]([CH3:28])[C:16]=1[O:17][CH2:18][CH2:19][NH2:20].[O-][CH2:30]C.[Na+]>C(O)C>[CH3:14][C:15]1[CH:24]=[C:23]([CH2:25][CH2:26][CH3:27])[CH:22]=[C:21]([CH3:28])[C:16]=1[O:17][CH2:18][CH2:19][NH:...
1
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:11]=[CH:10][C:9]([C:12](=[O:14])[CH3:13])=[CH:8][C:7]=1[C:15]([O:17]C)=[O:16]>[OH-].[K+]>[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:11]=[CH:10][C:9]([C:12](=[O:14])[CH3:13])=[CH:8][C:7]=1[C:15]([OH:17])=[O:16]
1
C(C1=CC=CC=C1)C=1C(NNC1C(C)C)=O>C1CCCO1.CCN(CC)CC.ON1C(CCC1=O)=O.ClC(=O)OCC>C(C1=CC=CC=C1)C=1C(NN(C1C(C)C)C(=O)OCC)=O
3
Cl[CH2:2][C:3]([C:5]1[CH:6]=[CH:7][C:8]([CH:15]([CH3:17])[CH3:16])=[C:9]([NH:11][C:12](=[O:14])[CH3:13])[CH:10]=1)=[O:4].Cl.[N:19]1([C:25]2[C:29]3[CH:30]=[CH:31][CH:32]=[CH:33][C:28]=3[S:27][N:26]=2)[CH2:24][CH2:23][NH:22][CH2:21][CH2:20]1>>[S:27]1[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[C:25]([N:19]2[CH2:20][CH2:...
1
Br[C:2]1[CH:11]=[CH:10][C:5]([C:6]([O:8][CH3:9])=[O:7])=[CH:4][C:3]=1[CH3:12].[CH3:13][O:14][C:15]1[CH:20]=[C:19]([O:21][CH3:22])[CH:18]=[CH:17][C:16]=1B(O)O.C(=O)([O-])[O-].[K+].[K+].O>C1(C)C=CC=CC=1.CCOC(C)=O.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...
1
CCN(/[CH:6]=[C:7](/[C:11]([O:13][CH2:14][CH3:15])=[O:12])\[C:8]([CH3:10])=O)CC.Cl.[C:17]([NH:21][NH2:22])([CH3:20])([CH3:19])[CH3:18]>CCO>[C:17]([N:21]1[C:8]([CH3:10])=[C:7]([C:11]([O:13][CH2:14][CH3:15])=[O:12])[CH:6]=[N:22]1)([CH3:20])([CH3:19])[CH3:18]
1
C(C)OC(=O)N1C(=CC2=CC(=CC=C12)C=1N(N=C(C1)C(F)(F)F)C)C1=C(C=CC(=C1)Cl)F>>ClC=1C=CC(=C(C1)C=1NC2=CC=C(C=C2C1)C=1N(N=C(C1)C(F)(F)F)C)F
5
BrC1=C(C=C(C(=C1)Cl)C(F)F)OC>>ClC=1C(=CC(=C(C1)B1OC(C(O1)(C)C)(C)C)OC)C(F)F
5
FC=1C=C(C#N)C=CC1SC>CO[H].CCN(CC)CC.[HH].N.[Ni].C1(C=2C(C(=O)O1)=CC=CC2)=O>FC=1C=C(CN2C(C3=CC=CC=C3C2=O)=O)C=CC1SC
3
ClC1=C(C(=CC=C1)Cl)N1CC(C1)C1=CC=C(C=C1)C(C)(C)N1CCC(CC1)C(=O)OC>>ClC1=C(C(=CC=C1)Cl)N1CC(C1)C1=CC=C(C=C1)C(C)(C)N1CCC(CC1)C(=O)O
5
C(C)(C)(C)[Si](C)(C)Cl.OC1CC(C(C(C1)C)=O)(C)C>c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OC1CC(C(C(C1)C)=O)(C)C
3
C(C)(=O)Cl.BrC1=C(C[C@@H](N)C(=O)O)C=CC=C1>CO[H]>Cl.BrC1=C(C[C@@H](N)C(=O)OC)C=CC=C1
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH2:14][CH:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1)[N:9]=[CH:8][N:7]=[C:6]2[O:21][C:22]1[CH:23]=[C:24]2[C:28](=[CH:29][CH:30]=1)[NH:27][CH:26]=[C:25]2[CH3:31].CCN(C(C)C)C(C)C.[Cl:41][CH2:42][C:43](Cl)=[O:44]>ClCCl.CO>[Cl:41][CH2:42][C:43]([N:18]1[CH2:19]...
1
BrC=1C=C(N)C=CC1.C1(CC1)B(O)O>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CC1)C=1C=C(N)C=CC1
3
O1CC(CCC1)=O>C1CCCO1.C[Si](C(F)(F)F)(C)C>FC(C1(COCCC1)O)(F)F
3
COC(CC1=C(C=CC=C1)C#CC1=NC(=NC=C1C(F)(F)F)NC1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C)=O>N(C)(C)C=O.[HH].[Pd]>COC(CC1=C(CCC2=NC(=NC=C2C(F)(F)F)NC2=CC=C(C=C2)C2CCN(CC2)C(=O)OC(C)(C)C)C=CC=C1)=O
3
O=C1C2C(=CC=CC=2)C(=O)[N:3]1[CH2:12][CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17][CH2:16]1.O.NN>C(O)C>[NH2:3][CH2:12][CH2:13][CH2:14][N:15]1[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17][CH2:16]1
2
ClC=1N=C2C(=NC1N1CCN(CC1)C)N=CC(=C2)Cl>>ClC1=CC2=C(N=C(C=3N2N=NN3)N3CCN(CC3)C)N=C1
5
Cl.[NH2:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([NH2:9])=[NH:8])=[CH:5][CH:4]=1.[OH:12][C:13]1[CH:18]=[C:17]([C:19]2[CH:24]=[CH:23][C:22]([CH:25]([CH3:27])[CH3:26])=[CH:21][CH:20]=2)[C:16]([CH:28]=O)=[CH:15][C:14]=1[O:30][CH3:31].[CH2:32]1[C:40]2[C:35](=[CH:36][CH:37]=[CH:38][CH:39]=2)[CH:34]=[CH:33]1.[O-]S(C(F)(F)F)(=O)=O....
1
CN(C=1S[C@@H]2[C@H](N1)[C@H]([C@@H]([C@H](O2)C(C)=O)OCC2=CC=C(C=C2)OC)OCC2=CC=C(C=C2)OC)C>ClCCl.CCO[H].C(C)N(CC)S(F)(F)F>CN(C=1S[C@@H]2[C@H](N1)[C@H]([C@@H]([C@H](O2)[C@H](C)O)OCC2=CC=C(C=C2)OC)OCC2=CC=C(C=C2)OC)C
3
[C:1]1([CH:11]=O)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[CH:13]1([CH2:16][NH2:17])[CH2:15][CH2:14]1.[Cl:18][C:19]1[CH:27]=[C:26]2[C:22]([CH:23]=[CH:24][NH:25]2)=[CH:21][CH:20]=1>C(Cl)Cl>[Cl:18][C:19]1[CH:27]=[C:26]2[C:22]([C:23]([CH:11]([NH:17][CH2:16][CH:13]3[CH2:15][CH2:14]3)[C:1]3[C:10]4[C:5...
2
Cl[C:2]1[C:3](=[O:21])[O:4][C:5]([CH2:19][CH3:20])([CH2:9][CH2:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][CH3:18])=[CH:13][CH:12]=2)[CH2:6][C:7]=1[OH:8].[Cl:22][C:23]1[CH:35]=[CH:34][C:26]2[N:27]([CH:31]([CH3:33])[CH3:32])[C:28]([SH:30])=[N:29][C:25]=2[CH:24]=1>>[Cl:22][C:23]1[CH:35]=[CH:34][C:26]2[N:27]([CH:31]([CH3:33])[...
1
N1(CCCC1)C(=O)Cl.C(C1=CC=CC=C1)OC=1C(=NC=CC1)C(=O)OC>CC#N.[I-].[Na+].C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)OC=1C(=NC(=CC1)N1CCCC1)C(=O)O
3
ClC1=CC(=C(C=C1COC1(CC1)C=1C=NC=CC1C1=C(C=CC=C1)OC1CC1)S(=O)(=O)N(C)C)OCC1=CC=C(C=C1)OC>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC(=C(C=C1COC1(CC1)C=1C=NC=CC1C1=C(C=CC=C1)OC1CC1)S(=O)(=O)N(C)C)O
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:9][CH2:10][NH:11][NH:12][C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)[CH:6]=[CH:7][CH:8]=1.[CH3:19]OC[Cl:22].[OH-].[Na+]>C(O)(=O)C>[ClH:22].[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:6](=[CH:7][CH:8]=1)[CH2:19][N:11]([NH:12][C:13]1[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=1)[CH2:10][CH2:9]2
1
CC[O-].[Na+].[C:5]([CH2:7][C:8](OCC)=[O:9])#[N:6].[C:13]1([CH:19]=[C:20]2[C:25](=[O:26])[C:24](=[CH:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[CH2:23][S:22][CH2:21]2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>CCO>[O:9]=[C:8]1[O:26][C:25]2[C:24](=[CH:27][C:28]3[CH:29]=[CH:30][CH:31]=[CH:32][CH:33]=3)[CH2:23][S:22][...
1
C1COCCN1.ClC=1C(=C(C(N(N1)C)=O)C1=C(C=CC2=CC=CC=C12)C)OC>Cl>ClC=1C(=C(C(N(N1)C)=O)C1=C(C=CC2=CC=CC=C12)C)O
3
[C:1]1([CH2:7][CH2:8][P:9]([OH:11])[OH:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[Na+].O.O.O.O.O.O.[Cl-].[Al+3:21].[Cl-].[Cl-]>O>[Al+3:21].[C:1]1([CH2:7][CH2:8][P:9]([O-:11])[O-:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:1]1([CH2:7][CH2:8][P:9]([O-:11])[O-:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:1]1([CH2:7][CH2:8][...
2
FC1=CC=C(C=C1)S(=O)(=O)Cl>CC#N.[F-].[K+].C1COCCOCCOCCOCCOCCO1>FC1=CC=C(C=C1)S(=O)(=O)F
3
[H-].[Na+].[CH3:3][N:4]1[CH2:9][CH2:8][O:7][CH2:6][CH:5]1[CH2:10][OH:11].[N+](C1C=CC([O:21][C:22]([N:24]2[CH2:29][CH2:28][N:27]([C:30]3[CH:35]=[CH:34][C:33]([F:36])=[CH:32][CH:31]=3)[CH2:26][CH2:25]2)=O)=CC=1)([O-])=O.C([O-])(O)=O.[Na+]>C1COCC1>[F:36][C:33]1[CH:32]=[CH:31][C:30]([N:27]2[CH2:26][CH2:25][N:24]([C:22]([O:...
1
CC=1N(C=CN1)CC(=O)N1CC2=CC=C(C=C2CC1)C(=O)NOC1OCCCC1>>Cl.ONC(=O)C=1C=C2CCN(CC2=CC1)C(CN1C(=NC=C1)C)=O
5
[N:1]1[C:2]([C:10]([OH:12])=O)=[CH:3][N:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.[NH2:13][C@@H:14]([CH3:31])[CH2:15][N:16]1[CH:20]=[CH:19][C:18]([C:21]2[CH:28]=[C:27]([F:29])[C:24]([C:25]#[N:26])=[C:23]([Cl:30])[CH:22]=2)=[N:17]1>>[Cl:30][C:23]1[CH:22]=[C:21]([C:18]2[CH:19]=[CH:20][N:16]([CH2:15][C@@H:14]([NH:13][C:10]([C...
1
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.NC=1SC=C(N1)C.ClC=1C=C(N)C=CC1OC1=NC=NC2=CC(=C(C=C12)OC)OC>C(Cl)(Cl)(Cl)[H].CCN(CC)CC>ClC=1C=C(C=CC1OC1=NC=NC2=CC(=C(C=C12)OC)OC)NC(=O)NC=1SC=C(N1)C
3
ClC1=C(C=C(C=C1)OC=1C=CC=2N(C1)N=C(N2)NC(=O)C2CC2)NC(OC(C)(C)C)=O>C(=O)(C(F)(F)F)O>NC=1C=C(OC=2C=CC=3N(C2)N=C(N3)NC(=O)C3CC3)C=CC1Cl
3
C(C1=CC=CC=C1)(=O)C1CCN(CC1)C(=O)OC(C)(C)C>>OC(C1CCN(CC1)C(=O)OC(C)(C)C)(C1=CC=CC=C1)C=1N(C=CN1)C
5
c3c(P(c1ccccc1)c2ccccc2)cccc3>[HH].CN1C(CCC1)=O.C(O)([O-])=O.[Na+].Cl[Pd]Cl>C(C1=CC=CC=C1)(=O)C=1C=C(C=CC1)CC(C=O)C
3
C(N(CC)C(C)C)(C)C.[CH3:10][O:11][C:12]1[CH:13]=[C:14]([CH:16]=[CH:17][C:18]=1[O:19][CH3:20])[NH2:15].C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.CO[C:56]1[C:65]([CH:66]=[O:67])=[CH:64][CH:63]=[C:62]2[C:57]=1[CH:58]=[CH:59][C:60]([CH3:69])([CH3:68])[O:61]2>CCCCCC.CCOC(C)=O.ClCCl>[CH3:10][O:11][C...
2
[NH2:1][C:2]1[CH:3]=[C:4]([NH:8][C:9](=[O:11])[CH3:10])[CH:5]=[CH:6][CH:7]=1.Cl[C:13]1[C:14]2[C:21]([C:22]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[CH3:30])=[O:23])=[CH:20][NH:19][C:15]=2[N:16]=[CH:17][N:18]=1>>[CH3:30][C:25]1[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=1[C:22]([C:21]1[C:14]2[C:13]([NH:1][C:2]3[CH:3]=[C:4...
1
C([N:5]1[C:9]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2Br)=[N:8][N:7]=[N:6]1)(C)(C)C.[Li]C[CH2:19][CH2:20][CH3:21].[CH2:22]([Sn:26](Cl)([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:27][CH2:28][CH2:29][CH3:30])[CH2:23][CH2:24][CH3:25].O.[CH2:37]1COCC1>>[C:20]([N:7]1[NH:6][N:5]=[C:9]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:...
1
CC1=C2C=NNC2=C(C=C1O[C@H]1CC[C@H](CC1)N)C>>CC1=C2C=NNC2=C(C=C1O[C@H]1CC[C@H](CC1)N(C)C)C
5
BrC=1C=NC=C(C1)Br.ClC(=O)OCCC>C1CCCO1.[Cl-].[NH4+]>BrC1=C(C(=O)OCCC)C(=CN=C1)Br
3
Cl.CNOC.C(C1=CC=CC=C1)OC(=O)NC(CC(=O)O)C>ClCCl.CN1CCOCC1.C(C(C)C)OC(=O)Cl>C(C1=CC=CC=C1)OC(NC(CC(=O)N(C)OC)C)=O
3
CC([C@@H](C(=O)N[C@H](C(=O)NC1=CC=C(C=C1)COC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C)NC(OCC=C)=O)C.COC(CCCOC1=C(C=C(C(=C1)N)C(=O)N1[C@@H](CCCC1)CO)OC)=O>N(C)(C)C=O.OC1=CC=CC=2NN=NC21>C(C=C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)NC1=CC=C(COC(=O)NC=2C(=CC(=C(OCCCC(=O)OC)C2)OC)C(=O)N2[C@@H](CCCC2)CO)C=C1)C)C(C)C
3
[C:1]([CH2:3][C:4]1([N:8]2[CH:12]=[C:11]([C:13]3[CH:18]=[N:17][N:16]4[C:19]([C:22]5[CH:23]=[C:24]([NH:28][C:29]([NH:31][CH2:32][C:33]([F:36])([F:35])[F:34])=[O:30])[CH:25]=[CH:26][CH:27]=5)=[CH:20][N:21]=[C:15]4[CH:14]=3)[CH:10]=[N:9]2)[CH2:7][NH:6][CH2:5]1)#[N:2].[O:37]1[CH2:41][CH2:40][CH:39]([C:42](O)=[O:43])[CH2:38...
1
[CH3:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8]([NH2:10])=O)[CH:3]=1.[C:11]1(N)[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[NH2:17]>O>[CH3:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8]2[NH:10][C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=3[N:17]=2)[CH:3]=1
1
Br[C:2]1[S:6][C:5]([C:7]2[N:11]3[N:12]=[C:13]([CH3:21])[CH:14]=[C:15]([CH:16]([CH2:19][CH3:20])[CH2:17][CH3:18])[C:10]3=[N:9][C:8]=2[CH3:22])=[C:4]([C:23]#[N:24])[CH:3]=1.[Br-].[S:26]1[CH:30]=[CH:29][N:28]=[C:27]1[Zn+]>CCOC(C)=O.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.[F...
1
Cl.N[C@H](CC1=CC=CC=C1)C1=CC(=NC=2NC(OCC21)=O)C2=C(C=CC=C2)O>CC#N>Cl.NC1=NC(=CC2=C1CN[C@@H]2CC2=CC=CC=C2)C2=C(C=CC=C2)O
3
C1(=CC=CC=C1)B(O)O.S1C(=CC=C1)CNC(=O)C=1NC2=C(C=C(C=C2C1)Br)Cl>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>S1C(=CC=C1)CNC(=O)C=1NC2=C(C=C(C=C2C1)C1=CC=CC=C1)Cl
3
[C:1]1([CH3:22])[CH:6]=[C:5]([CH3:7])[CH:4]=[C:3]([CH3:8])[C:2]=1[N:9]=[CH:10][CH:11]=[N:12][C:13]1[C:18]([CH3:19])=[CH:17][C:16]([CH3:20])=[CH:15][C:14]=1[CH3:21].[CH2:23]([Li])[CH2:24][CH2:25][CH3:26].[CH3:28][CH2:29][CH2:30][CH2:31]CC.C(OCC)C>C1COCC1.O>[C:1]1([CH3:22])[CH:6]=[C:5]([CH3:7])[CH:4]=[C:3]([CH3:8])[C:2]=...
1
CN.Cl.CN.COC(C1=NC=2NCCCC2C=C1C=O)OC>O.CO[H].C(#N)[BH3-].[Na+]>COC(C1=NC=2NCCCC2C=C1CNC)OC
3
CI.C1(=CC=CC=C1)C=1NC=2C=CC=C3C2C1CCNC3=O>C1CCCO1.[H-].[Na+].CN1C(N(CCC1)C)=O>CN1C(=C2C=3C(=CC=CC13)C(NCC2)=O)C2=CC=CC=C2
3
[C:1]1([C:7]2[S:11][C:10]([C:12]3[CH:18]=[CH:17][CH:16]=[CH:15][C:13]=3[NH2:14])=[N:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[Cl:26][C:27]1[N:32]=[C:31]([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[N:30]=[C:29]([C:39](Cl)=[O:40])[CH:28]=1.CO>C(Cl)Cl>[Cl:26][C:27]1[N:32]=[C:31]([C:33]2[CH:38]=[CH:37][...
2
C(O[CH:4]=[C:5]([C:11](=[O:19])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1F)[C:6]([O:8][CH2:9][CH3:10])=[O:7])C.[CH3:20][O:21][NH2:22]>C(O)C>[CH3:20][O:21][N:22]1[C:13]2[C:12](=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:11](=[O:19])[C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4]1
1
CC(C)(C)[S@@](=O)N[C@@H](C)C1=CC=C(C=C1)OC(F)(F)F>>FC(OC1=CC=C(C=C1)[C@H](C)N)(F)F
5
CN(N)C.C(C)(=O)N(N1C(N(N=C(C1)C=O)C(=O)OC(C)(C)C)=O)C(=O)OC(C)(C)C>>C(C)(=O)N(N1C(N(N=C(C1)/C=N/N(C)C)C(=O)OC(C)(C)C)=O)C(=O)OC(C)(C)C
5
C(C)OC(=O)C1CN(CCC1=O)C(=O)OC(C)(C)C>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl.N1CCCCC1.C(O)([O-])=O.[Na+]>N1(CCCCC1)C1C(CN(CC1)C(=O)OC(C)(C)C)C(=O)OCC
3
C1(CCCC1)C1=CC=C(N)C=C1>>BrC1=C(N)C=CC(=C1)C1CCCC1
5
COC=1C=C(CBr)C=CC1.NC=1C=2N(C=CN1)C(=NC2C=2C=C(C=CC2)O)C2CCC2>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CCC1)C1=NC(=C2N1C=CN=C2N)C2=CC(=CC=C2)OCC2=CC(=CC=C2)OC
3
Cl.OC1CNC1.FC1=C(C(=CC(=C1)OCC[C@H]1[C@H](C1)C1CCN(CC1)C1=NC=C(C=N1)COC)F)CC(=O)O>>FC1=C(C(=CC(=C1)OCC[C@H]1[C@H](C1)C1CCN(CC1)C1=NC=C(C=N1)COC)F)CC(=O)N1CC(C1)O
5
FC1=C(C=CC=C1)O>c1ccncc1.[H-].[Na+].[Cu]Br>FC1=C(OC=2C=NC(=NC2)C#N)C=CC=C1
3
BrCC(=O)N.FC1=C(COC=2C=3N(C=C(C2)C)C(=C(N3)C)C=3C=NNC3)C(=CC=C1)F>>FC1=C(COC=2C=3N(C=C(C2)C)C(=C(N3)C)C=3C=NN(C3)CC(=O)N)C(=CC=C1)F
5
[N+](=O)([O-])C.C1(CCCC1)=O>>[N+](=O)([O-])CC1(CCCC1)O
5
FC(CNC(=N)NC(=S)N)(F)F.ClCC(CCCC(=O)OC)=O>CCO[H]>FC(CN=C(NC=1SC=C(N1)CCCC(=O)OC)N)(F)F
3
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>>NC=1N=C(SC1C(=O)C1=CC(=C(C=C1)OC)F)NC1=CC=C(C=C1)OCCCN
5
[C:1]([NH:20][C:21]1[S:25][N:24]=[C:23](/[C:26](=[N:30]/[O:31][CH:32]([F:34])[F:33])/[C:27](O)=[O:28])[N:22]=1)([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH2:36][C@@H:37]1[C:60](=[O:61])[N:39]2[C:40]([C:48]([O:50][CH2:51][C:...
1
C(=O)(OC(C)(C)C)NCCC(=O)O.COC1=C(C=CC(=C1)OC)CN>O.C1(=CC=NC=C1)N(C)C.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C)(C)(C)OC(NCCC(=O)NCC1=C(C=C(C=C1)OC)OC)=O
3
CN1CCNCC1.ClC1=NC=C(C=C1)CCl>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=N1)CN1CCN(CC1)C
3
O1C(=CC=C1)CNC1=NC=C(C=2N1C=NN2)C2=CC=C(C(=O)OC)C=C2>C1CCCO1.CO[H].[OH-].[Li+]>O1C(=CC=C1)CNC1=NC=C(C=2N1C=NN2)C2=CC=C(C(=O)O)C=C2
3
NC=1SC(=NN1)N1CCCCC1.O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)O>>O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)NC=2SC(=NN2)N2CCCCC2
5
ClC(=O)OC1=CC=C(C=C1)F.CN1CCN(CC1)CCCS(=O)(=O)C1=CC2=C(N=C(S2)N)C=C1>>CN1CCN(CC1)CCCS(=O)(=O)C1=CC2=C(N=C(S2)NC(OC2=CC=C(C=C2)F)=O)C=C1
5
O=[C:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1.[CH2:15]([NH:17][CH2:18][CH3:19])[CH3:16]>CO.[Pd]>[CH2:15]([N:17]([CH2:18][CH3:19])[CH:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1)[CH3:16]
1
[C:1]([N:8]([CH3:14])[C@H:9]([C:11]([OH:13])=O)[CH3:10])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].[NH2:15][C:16]1[CH:23]=[CH:22][CH:21]=[CH:20][C:17]=1[CH2:18][NH2:19].Cl.C(N=C=NCCCN(C)C)C.O.ON1C2C=CC=CC=2N=N1>CN(C)C=O.C(N(CC)C(C)C)(C)C.C(OCC)(=O)C.O>[NH2:15][C:16]1[CH:23]=[CH:22][CH:21]=[CH:20][C:17]=1[CH2:18][NH:19...
1
BrC1C(O)=C(C(CS(C2C=CC=C(Cl)C=2)(=O)=O)=CC=1)C(OC)=O.[C:24]1([S:30]([CH2:33][C:34]2[C:39]([C:40]([O:42][CH3:43])=[O:41])=[C:38]([O:44]C)[C:37]([CH2:46][CH3:47])=[CH:36][CH:35]=2)(=[O:32])=[O:31])[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[C:24]1([S:30]([CH2:33][C:34]2[C:39]([C:40]([O:42][CH3:43])=[O:41])=[C:38]([OH:44])[...
1
[N+:1]([C:4]1[CH:5]=[C:6]([C:19]2[CH:20]=[C:21]([CH:24]=[C:25]([F:27])[CH:26]=2)[C:22]#[N:23])[CH:7]=[C:8]2[C:12]=1[NH:11][C:10](=[O:13])[C:9]12[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]1)([O-])=O.O.O.[Sn](Cl)Cl.CCOCC>C(O)(=O)C.Cl>[NH2:1][C:4]1[CH:5]=[C:6]([C:19]2[CH:20]=[C:21]([CH:24]=[C:25]([F:27])[CH:26]=2)[C:22]#[N:2...
1
ClC1=CC=CC=2N=C(SC21)S.NC1=C(N=C(N1C)Br)C(=O)N>CC(C)(C)[O-].[K+].[Br-].[Li+]>NC1=C(N=C(N1C)SC=1SC2=C(N1)C=CC=C2Cl)C(=O)N
3
C(C)OC(C(F)(F)F)O.C(C)OC(CN)OCC>>C(C)OC(CNCC(F)(F)F)OCC
5
[C:1]([O:5][C:6]([NH:8][CH2:9][CH2:10][CH2:11][N:12]1[C:21]2[C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][C:27]=3[C:28](=[O:29])[C:20]=2[C:19]2[C:14](=[CH:15][C:16]([NH:30][CH2:31][C:32]([O:34]CC)=[O:33])=[CH:17][CH:18]=2)[C:13]1=[O:37])=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>CO.C1COCC1>[C:1]([O:5][C:6]([NH:8][CH2:9][CH2:...
1
N[C@@H](C(=O)N(C)[C@H]([C@H](C1=CC=CC=C1)O)C)CC1=CC(=C(C=C1)CC)CC>O.O1CCOCC1>N[C@@H](C(=O)O)CC1=CC(=C(C=C1)CC)CC
3
FC=1C=C(N)C=CC1.ClC1=C(C=O)C=CC=C1.FC1(CC(C1)[N+]#[C-])F.CN1C(N[C@@H](C1)C(=O)O)=O>>ClC1=C(C=CC=C1)C(C(=O)NC1CC(C1)(F)F)N(C(=O)[C@H]1NC(N(C1)C)=O)C1=CC(=CC=C1)F
5
Cl.CNOC.C(C1=CCC(CC1)C(=O)OCC)([2H])([2H])[2H]>C1CCCO1.C(C)OCC.[Cl-].[NH4+].C(C)(C)[Mg]Cl>CON(C(=O)C1CC=C(CC1)C([2H])([2H])[2H])C
3
NC=1C(N(C=CC1)C)=O.BrC=1C2=C(C(N(N1)C1=CC=C(C=C1)OC(F)(F)F)=O)CN(CC2)CC2=CC=C(C=C2)OC>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=...
3
[OH-].[K+].[CH3:3][O:4][C:5]([CH:7]1[CH:21]=[C:20]2[C@@H:10]([CH2:11][C:12]3[C:22]4[C:15](=[CH:16][CH:17]=[CH:18][C:19]2=4)[NH:14][CH:13]=3)[NH:9][CH2:8]1)=[O:6].Cl[C:24]([O:26][CH2:27][C:28]([Cl:31])([Cl:30])[Cl:29])=[O:25].[C:32](=[O:35])(O)[O-:33].[Na+]>S([O-])(O)(=O)=O.C([N+](CCCC)(CCCC)CCCC)CCC.C(Cl)Cl>[CH3:3][O:4...
1
[CH3:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH2:4][C:5](=[O:11])[NH:6]2.[CH:12]([C:14]1[NH:18][C:17]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:16]=2[C:15]=1[CH2:24][CH2:25][C:26]([OH:28])=[O:27])=O.N1CCCCC1>C(O)C>[CH3:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1/[C:4](=[CH:12]/[C:14]1[NH:18][C:17]3[CH2:19][CH2:20][C...
2
[Cl:1][C:2]1[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[C:3]=1[C:4]([NH:6][C:7]([N:9]([C:18]1[CH:23]=[CH:22][C:21]([C:24]([O:26][CH3:27])=[O:25])=[C:20]([O:28][CH3:29])[CH:19]=1)[NH:10]C(OC(C)(C)C)=O)=[O:8])=O.FC(F)(F)C(O)=O>C(Cl)Cl>[Cl:1][C:2]1[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[C:3]=1[C:4]1[NH:6][C:7](=[O:8])[N:9]([C:18]...
1
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[NH:14][C:13](=[O:15])[C:12]([C:16]#[N:17])=[CH:11][C:10]=1[C:18]1[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][CH:19]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Cl[CH2:32][C:33]([C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=[O:34]>>[NH2:17][C:16]1[C:12]2[C:13](=[N:14][C:9]([C:3]...
1
C(C)(C)(C)[Si](C)(C)Cl.OC[C@H](C(C)(C)C)N1C=C(C(C2=CC(=C(C=C12)OC)OCC1=CC=C(C=C1)OC)=O)C(=O)OCC>>[Si](C)(C)(C(C)(C)C)OC[C@H](C(C)(C)C)N1C=C(C(C2=CC(=C(C=C12)OC)OCC1=CC=C(C=C1)OC)=O)C(=O)OCC
5
[Br-].C1(CCC1)[Zn+].BrC1=C(O[Si](C)(C)C(C)(C)C)C(=CC=C1)F>C1CCCO1.Cl.[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C1(CCC1)C1=C(O[Si](C)(C)C(C)(C)C)C(=CC=C1)F
3
FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC(=C2)C=O)CC)=O>CO[H].C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.Cl.NO>FC1=C(C(=C(C=C1OC)OC)F)N1C(N(C2=C(C1)C=NC(=C2)/C=N/O)CC)=O
3
C(C)OCC=1N(C2=C(C=[N+](C=3C=CC(=CC23)OCCNC(OC(C)(C)C)=O)[O-])N1)CCC>>C(C)(C)(C)OC(NCCOC1=CC=2C3=C(C(=NC2C=C1)N)N=C(N3CCC)COCC)=O
5
ClC1=C(C(=NC(=N1)C)NC)CNC1CCOCC1>C(=O)(C=1NC=CN1)C=1NC=CN1.COCCOC.C(O)([O-])=O.[Na+]>ClC1=C2C(=NC(=N1)C)N(C(N(C2)C2CCOCC2)=O)C
3
O1C=CC=C1.CN1N=C(N=C1NCCCOC1=CC(=CC=C1)CN1CCCCC1)C=O>O.C1CCCO1.C(CCC)[Li]>O1C(=CC=C1)C(O)C1=NN(C(=N1)NCCCOC1=CC(=CC=C1)CN1CCCCC1)C
3
ICC1CCCC1.COC(CC1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)=O>>COC(C(CC1CCCC1)C1=CC(=C(C=C1)S(=O)(=O)C)S(=O)(=O)C)=O
5