Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(=O)(OC(C)(C)C)N[C@H](CO)C(=O)O.FC1=CC=C(CBr)C=C1>N(C)(C)C=O.[H-].[Na+]>C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)COCC1=CC=C(C=C1)F
3
C1(=CC=CC=C1)[Mg]Cl.CN(C1(CCC(CC1)C(COC1=CC=CC=C1)OC(C)OCC)C#N)C>C1CCCO1>C(C)OC(C)OC(COC1=CC=CC=C1)C1CCC(CC1)(C1=CC=CC=C1)N(C)C
3
C(Br)C1CO1.OC1=C(C(=O)CCC(=O)OC)C=CC=C1>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>C(C1CO1)OC1=C(C(=O)CCC(=O)OC)C=CC=C1
3
ClC1=C2C(=NC=C1)C=C(S2)C(=O)N2C[C@@H](CC2)OC.CNC(=O)C=1C2=C(OC1C)C=C(C=C2)O>C(=O)([O-])[O-].[Cs+].[Cs+]>CNC(=O)C1=C(OC2=C1C=CC(=C2)OC2=C1C(=NC=C2)C=C(S1)C(=O)N1CC(CC1)OC)C
3
C=1C=CC2=C(C1)C=3C=CC=CC3C2(CCCCN4CCC(CC4)NC(=O)C=5C=CC=CC5C=6C=CC(=CC6)C(F)(F)F)C(=O)NCC(F)(F)F>O.CO[H].O=S(=O)(O)C>CS(=O)(=O)O.C=1C=CC2=C(C1)C=3C=CC=CC3C2(CCCCN4CCC(CC4)NC(=O)C=5C=CC=CC5C=6C=CC(=CC6)C(F)(F)F)C(=O)NCC(F)(F)F
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][NH:15][C:16]2[C:21]([C:22]([O:24][CH3:25])=[O:23])=[CH:20][N:19]=[C:18](Cl)[CH:17]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:27][C:28]1[N:29]=[CH:30][C:31]([NH2:34])=[N:32][CH:33]=1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2C=CC=CC=2)C2C3OC4C(=CC=CC=4P(C4C...
1
FC1=C(C=C(C=C1)[N+](=O)[O-])C.O1C=NC2=C1C=CC(=C2)O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>CC1=C(OC=2C=CC3=C(N=CO3)C2)C=CC(=C1)[N+](=O)[O-]
3
[CH2:1]([O:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:16]=[CH:17][C:18]3[N:25]([CH2:26][CH:27]([CH3:29])[CH3:28])[CH2:24][CH2:23][CH2:22][C:21]([C:30]([NH:32][C:33]4[CH:38]=[CH:37][C:36]([S:39][CH2:40][C:41]5[N:45]([CH2:46][CH2:47][CH3:48])[CH:44]=[N:43][CH:42]=5)=[C:35]([CH3:49])[CH:34]=4)=[O:31])=[CH...
1
CN1CCNCC1.FC1=C(OC2=C3C(=NC=C2)C=C(S3)C=3C=NN(C3)CC=O)C=CC(=C1)[N+](=O)[O-]>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].CN1C(CCC1)=O>FC1=C(OC2=C3C(=NC=C2)C=C(S3)C=3C=NN(C3)CCN3CCN(CC3)C)C=CC(=C1)[N+](=O)[O-]
3
FC1=C(C=CC(=C1I)F)C1=NC=CC(=C1)C>[Cu]I.[F-].[K+].C[Si](C(F)(F)F)(C)C>FC1=C(C=CC(=C1C(F)(F)F)F)C1=NC=CC(=C1)C
3
CN(C=CC(=O)C=1C=C(C=CC1)N(C(C)=O)C)C.NC1=NNC=C1C(=O)C=1SC=CC1>C(C)(=O)O>CN(C(C)=O)C1=CC(=CC=C1)C1=CC=NC=2N1N=CC2C(=O)C=2SC=CC2
3
CC1(C2=C(C(C=3C=4C=CC(=CC4NC13)C(=O)N)=O)C=NC(=C2)N2CCC(CC2)N2CCOCC2)C>>CC1(C2=C(C(C=3C=4C=CC(=CC4NC13)C#N)=O)C=NC(=C2)N2CCC(CC2)N2CCOCC2)C
5
[N:1]1[C:10]2[CH:9]=[CH:8][N:7]=[C:6]([NH2:11])[C:5]=2[CH:4]=[CH:3][CH:2]=1.[Cl:12][CH2:13][C:14](=O)[CH2:15]Cl>COCCOC.CCO>[Cl:12][CH2:13][C:14]1[N:11]=[C:6]2[N:7]([CH:15]=1)[CH:8]=[CH:9][C:10]1[N:1]=[CH:2][CH:3]=[CH:4][C:5]2=1
1
[CH3:1][O:2][C:3]1[C:8]([C:9]#[N:10])=[C:7]([CH3:11])[N:6]=[CH:5][CH:4]=1.[ClH:12]>CO.CCO.[Pd]>[ClH:12].[CH3:1][O:2][C:3]1[CH:4]=[CH:5][N:6]=[C:7]([CH3:11])[C:8]=1[CH2:9][NH2:10]
2
C[O:2][C:3](=[O:25])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH2:11][C:12]2[C:13]([C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([F:24])[CH:19]=3)=[N:14][O:15][C:16]=2[CH3:17])=[N:6][CH:5]=1.O.[OH-].[Li+]>C1COCC1.O.CO.Cl>[F:24][C:20]1[CH:19]=[C:18]([C:13]2[C:12]([CH2:11][O:10][C:7]3[CH:8]=[CH:9][C:4]([C:3]([OH:25])=[O:2])=[CH:5][N:6]=3)=...
1
NC1=NC=C(C=C1C)Br>>BrC=1C=C(C(=NC1)O)C
5
[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[C:13]([F:14])=[CH:12][CH:11]=[CH:10][N:9]=2)[C:5](N)=[CH:4][CH:3]=1.S(=O)(=O)(O)O.[I-:21].[K+]>O>[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[C:13]([F:14])=[CH:12][CH:11]=[CH:10][N:9]=2)[C:5]([I:21])=[CH:4][CH:3]=1
1
FC1=C(C=CC(=C1)F)N=C=O.Cl.Cl.NCCC1=CC=C(OC=2C=CC3=C(N(C(=N3)COC3=CC=C(CC4C(NC(S4)=O)=O)C=C3)C)C2)C=C1>N(C)(C)C=O.CCN(CC)CC>FC1=C(C=CC(=C1)F)NC(=O)NCCC1=CC=C(C=C1)OC=1C=CC2=C(N(C(=N2)COC2=CC=C(C=C2)CC2C(NC(S2)=O)=O)C)C1
3
Cl.Cl[CH2:3][C:4]1[CH:13]=[CH:12][C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=1.[OH:14][C:15]1[CH:16]=[C:17]([CH:24]=[CH:25][CH:26]=1)[O:18][CH2:19][CH2:20][CH2:21][C:22]#[N:23].[OH-].[Na+]>CS(C)=O>[N:5]1[C:6]2[C:11](=[CH:10][CH:9]=[CH:8][CH:7]=2)[CH:12]=[CH:13][C:4]=1[CH2:3][O:14][C:15]1[CH:16]=[C:17]([CH:24]=[CH:...
1
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[O:12][CH3:13])[N:8]=[CH:7][C:6]([C:14]([O:16][CH2:17][CH3:18])=[O:15])=[C:5]2[NH:19][C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][OH:27])[C:21]=1[CH2:28][CH3:29].[C:30]([Si:34](Cl)([CH3:36])[CH3:35])([CH3:33])([CH3:32])[CH3:31].N1C=CN=C1>CN(C=O)C>[Br:1][C:2]1[CH:3]=[C:4]2...
2
[F:1][C:2]([F:23])([F:22])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[NH:9][C:10]1[NH:14][C:13]2[CH:15]=[CH:16][C:17]([C:19](O)=[O:20])=[CH:18][C:12]=2[N:11]=1.[NH2:24][C:25]1[CH:33]=[CH:32][C:28]2[N:29]=[CH:30][S:31][C:27]=2[CH:26]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[S:31]1[C:27]2[CH:26]=[C:25]([NH:...
1
ClC1=C2C(=NC=C1F)NC=C2>C1(=CC=CC=C1)C.O.[OH-].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C.S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=C2C(=NC=C1F)N(C=C2)S(=O)(=O)C2=CC=C(C=C2)C
3
C(C1=CC=CC=C1)C1=CC(CC1)=O>C(C)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)C1=CC(CC1)O
3
CS(=O)(=O)Cl.C(C)C1=C2C(=C(S1)C(CCC1=CC(=C(C(=C1)C)CCCO)C)=O)CCC(C2)(C)C>ClCCl.C(C)(C)N(C(C)C)CC>C(C)C1=C2C(=C(S1)C(CCC1=CC(=C(C(=C1)C)CCCOS(=O)(=O)C)C)=O)CCC(C2)(C)C
3
BrC1=C(C=O)C=C(C=C1)C=1CCOCC1>ClCCl.C(=O)(OCC)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>BrC1=C(C=C(C=C1)C=1CCOCC1)/C=C/C(=O)OCC
3
COC1=C(C=C(C=C1)OCOC)OC>C(C)OCC.BrBr.C(C)(C)(C)[Li].CN(CCN(C)C)C>BrC1=C(C=CC(=C1OC)OC)OCOC
3
C(C)(C)(C)N.C1(CC1)S(=O)(=O)Cl>>C(C)(C)(C)NS(=O)(=O)C1CC1
5
BrC=1C=CC=2C3=CC=4C(C=C3C=3C=CC=CC3C2C1)=CC1=CC=CC(C14)(C)C.C1(=CC=CC2=CC=CC=C12)C1=CC=C(CC1)C1=C2C=CC=CC2=C(C2=CC=CC=C12)B(O)O>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC1(C=C...
3
[C@H]12OC[C@H](N(C1)C1=NC=3N(C=C1)N=CC3C(=O)O)C2.NC=1C(=NN(C1)C1CCC(CC1)C(=O)OCC)C(F)F>CC#N.O.CN1C=NC=C1.F[P-](F)(F)(F)(F)F.ClC(=[N+](C)C)N(C)C>FC(C1=NN(C=C1NC(=O)C=1C=NN2C1N=C(C=C2)N2[C@H]1CO[C@@H](C2)C1)C1CCC(CC1)C(=O)OCC)F
3
C(COCCO)O.BrCCCCCC(=O)O>>BrCCCCCC(=O)OCCOCCOC(CCCCCBr)=O
5
COC([C@H]1N(CC(C1)=C)C(C1=C(C=C(C(=C1)OC)OCCCCCBr)[N+](=O)[O-])=O)=O>>BrCCCCCOC1=CC(=C(C(=O)N2[C@@H](CC(C2)=C)C=O)C=C1OC)[N+](=O)[O-]
5
BrC=1C(N(C=C(C1)Br)C)=O.NC1=CC=C(C=N1)N1C2CN(CC1CC2)C(=O)OC(C)(C)C>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.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=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C=C(C(N(C1)C)=O)NC...
3
[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[N:5][NH:6]2.[F:11][C:12]1[CH:17]=[CH:16][C:15](B(O)O)=[CH:14][N:13]=1.N1C=CC=CC=1>C(Cl)Cl>[Br:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[N:5][N:6]2[C:15]1[CH:14]=[N:13][C:12]([F:11])=[CH:17][CH:16]=1
2
[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:6]=[C:7]([CH:11]=[CH:12][C:13]=1[CH3:14])[C:8]([OH:10])=O.CN(C)CCCN=C=NCC.O.ON1C2C=CC=CC=2N=N1.[C:37](=[N:40]O)([NH2:39])[CH3:38]>CN(C)C=O>[CH3:1][O:2][CH2:3][O:4][C:5]1[CH:6]=[C:7]([C:8]2[O:10][N:40]=[C:37]([CH3:38])[N:39]=2)[CH:11]=[CH:12][C:13]=1[CH3:14]
1
C1(CCCC1)C(=O)O>>OCC1(CCCC1)C(=O)O
5
[Br:1][C:2]1[CH:9]=[CH:8][CH:7]=[CH:6][C:3]=1[CH2:4][OH:5].N1C=CN=C1.[CH:15]([Si:18](Cl)([CH:22]([CH3:24])[CH3:23])[CH:19]([CH3:21])[CH3:20])([CH3:17])[CH3:16].O>C(Cl)Cl>[CH:15]([Si:18]([O:5][CH2:4][C:3]1[CH:6]=[CH:7][CH:8]=[CH:9][C:2]=1[Br:1])([CH:22]([CH3:24])[CH3:23])[CH:19]([CH3:21])[CH3:20])([CH3:17])[CH3:16]
1
BrC1=CC=C2C(=NNC2=C1)C>>CC1=NNC2=CC(=CC=C12)B1OC(C)(C)C(C)(C)O1
5
[N+](=[N-])=C(C(C)=O)P(OCC)(OCC)=O.COC=1C=C(C=O)C=CC1C1=CC(=NC=C1)C>CO[H].C([O-])([O-])=O.[K+].[K+]>C(#C)C1=CC(=C(C=C1)C1=CC(=NC=C1)C)OC
3
[CH2:1]([N:3]1[CH2:8][CH2:7][N:6]([C:9]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[CH:12]=[C:11]([C:19]3[CH:24]=[CH:23][C:22]([O:25]CC4C=CC=CC=4)=[C:21]([F:33])[CH:20]=3)[N:10]=2)[CH2:5][CH2:4]1)[CH3:2].Cl>CO.[Pd]>[CH2:1]([N:3]1[CH2:8][CH2:7][N:6]([C:9]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[CH:12]=[C:11]...
1
Br[C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[CH:7][NH:8]2)=[CH:4][CH:3]=1.[CH2:11]([O:13][C:14](=[O:23])[CH:15]=[CH:16][C:17]1[CH:18]=[N:19][CH:20]=[CH:21][CH:22]=1)[CH3:12].C(OC(=O)C=C(C1C=CC=C2C=1C(C#N)=CN2)C1C=CC=CC=1)C>>[CH2:11]([O:13][C:14](=[O:23])[CH:15]=[C:16]([C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[CH:7][NH:8]2)=[CH:4][CH:3]...
1
C([O:3][C:4](=[O:19])[C@@H:5]([O:17][CH3:18])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:14][CH2:15]Br)=[CH:9][CH:8]=1)C.[CH3:20][C:21]([C:29]1[CH:34]=[CH:33][C:32]([OH:35])=[CH:31][CH:30]=1)([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[CH3:22].CO[C@@H](CC1C=CC(OCCCOC2C=CC=CC=2)=CC=1)C(O)=O>>[CH3:18][O:17][C@@H:5]...
1
FC1=C(C=C(C=C1)C)NC(=O)NC1=CC=C(C=C1)C1=C2C(=NC=C1)C=C(S2)C(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>FC1=C(C=C(C=C1)C)NC(=O)NC1=CC=C(C=C1)C1=C2C(=NC=C1)C=C(S2)C(=O)O
3
[CH:1]([N:4]1[CH:8]=[C:7]([C:9]([OH:11])=O)[N:6]=[C:5]1[CH3:12])([CH3:3])[CH3:2].[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.C1C=CC2N(O)N=NC=2C=1.CN(C=O)C>O>[Cl:30][C:23]1[CH:22]=[C:21]([C:18]2[CH:19]=[CH:20][N:16](...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([NH:8][C:9]([NH:11][C:12]2([C:18](OC)=[O:19])[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]2)=[O:10])=[CH:4][C:3]=1[F:22].[Li+].[OH-:24].[CH2:25]1COCC1>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:18](=[O:19])[C:12]3([CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]3)[NH:11][C:9]2=[O:10])=[CH:4][C:3]=1[F:22...
2
ClC(=O)OCC1=CC=CC=C1.C1NCCC2=CC=C(C=C12)N>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)OC(=O)N1CC2=CC(=CC=C2CC1)N
3
OCCN1N=C(C=2CCC=3C=NC(=NC3C21)NC2=C(C=CC(=C2)N2CCN(CC2)C)OC(F)(F)F)C(=O)OCC>>OCCN1N=C(C=2CCC=3C=NC(=NC3C21)NC2=C(C=CC(=C2)N2CCN(CC2)C)OC(F)(F)F)C(=O)[O-].[K+]
5
[ClH:1].[C:2]([CH2:4][C:5]1[C:14]([O:15][CH3:16])=[C:13]2[O:17][C:18]([CH3:21])([CH3:20])[CH2:19][C:12]2=[C:11]2[C:6]=1[CH2:7][C:8]([CH3:32])([CH3:31])[N:9]=[C:10]2[C:22]1[CH:23]=[C:24]([CH:28]=[CH:29][CH:30]=1)[C:25](O)=[O:26])#[N:3].[CH2:33]([N:35](CC)CC)C.Cl.CN.C(OCC)(=O)C>CN(C)C=O>[ClH:1].[C:2]([CH2:4][C:5]1[C:14](...
2
C(C)(C)(C)C1=CC=C(N)C=C1.C(N)(OC1=CC=CC=C1)=O>CC#N.c1ccncc1>C(C)(C)(C)C1=CC=C(C=C1)NC(OC1=CC=CC=C1)=O
3
C(=C)C1=C(C(=C(C#N)C=C1)F)C>>FC1=C(C#N)C=CC(=C1C)C1OC1
5
C(C)I.COC=1C=C2C(NN=C(C2=CC1OC)C(=O)O)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OC(=O)C1=NN(C(C2=CC(=C(C=C12)OC)OC)=O)CC
3
ClC1=C(CBr)C(=CC=C1)F.COC1=C(C=C(C=C1C)N1S(C2=C(N(C1=O)CC1=C(C=C(C=C1F)F)F)C=CC=C2)(=O)=O)C>>ClC1=C(CN2C(N(S(C3=C2C=CC=C3)(=O)=O)C=3C=NC(=CC3)OC)=O)C(=CC=C1)F
5
ClC=1C(=C(C=C(C1)C1=CC(=NC=C1)OC)CNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)SC1=NC=CC=C1CO>>ClC=1C(=C(C=C(C1)C1=CC(=NC=C1)OC)CNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)SC1=NC=CC=C1C=O
5
FC1=C2CCC(N3C2=C(C=C1)C=CC3=O)CO>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>FC1=C2CCC(N3C2=C(C=C1)C=CC3=O)C=O
3
C(CCC)C(=C(CCCC)CCCC)[Sn].BrC=1C=C(C(=O)OC)C=C(C1)C(N(CCC)C)=O>>COC(C1=CC(C(=O)N(CCC)C)=CC(=C1)C=C)=O
5
ClC=1SC(=CC1)C(C(F)(F)F)=O.BrC=1C=C2C=NN(C2=CC1)C1=CC=C(C=C1)F>>ClC1=CC=C(S1)C(C(F)(F)F)(O)C=1C=C2C=NN(C2=CC1)C1=CC=C(C=C1)F
5
[CH3:1][N:2]([CH3:26])[CH2:3][C@H:4]([OH:25])[CH2:5][O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH3:24].[H-].[Na+].CS(O[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][O:42][C@H:43]1[CH2:67][CH2:66][C@@:65]2...
2
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:13]3=[N:14][C:15]4[C:16](=[C:17]([C:22]([O:24][CH3:25])=[O:23])[CH:18]=[CH:19][C:20]=4[Cl:21])[N:12]3[CH2:11][CH2:10][CH2:9]2)=[C:4]([Cl:26])[CH:3]=1.C[O-].[Na+].[C:30](=O)([O-])[O-:31].[K+].[K+].CI>CN(C)C=O.[Cu]I>[Cl:21][C:20]1[CH:19]=[CH:18][C:17]([C:22]([O:24][CH3:25])=[O:23])=[C:...
1
COC=1C=C(C=C(C1OCCSC1=CC=C(C=C1)Cl)I)[C@@H]1O[C@H](CC1)C1=CC(=C(C(=C1)OC)OC)OC>N(C)(C)C=O.[Cu+].[C-]#N>COC=1C=C(C=C(C1OCCSC1=CC=C(C=C1)Cl)C#N)[C@@H]1O[C@H](CC1)C1=CC(=C(C(=C1)OC)OC)OC
3
OC(COC1=CC=C(C=C1)N1C(N=C(C=C1)NC(=O)N1CCN(CC1)C(C(C)(C)NC(OC(C)(C)C)=O)=O)=O)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+]>CC(C(N1CCN(CC1)C(NC1=NC(N(C=C1)C1=CC=C(C=C1)OCC(C)=O)=O)=O)=O)(C)NC(OC(C)(C)C)=O
3
[NH3:1].[CH2:2]1[CH:8]([S:9](Cl)(=[O:11])=[O:10])[CH2:7][S:4](=[O:6])(=[O:5])[CH2:3]1>O1CCOCC1.CO>[S:4]1(=[O:6])(=[O:5])[CH2:3][CH2:2][CH:8]([S:9]([NH2:1])(=[O:11])=[O:10])[CH2:7]1
1
ClC=1C=C(C=O)C=CC1F.N[C@H]1CC[C@H](CC1)NC1=NC=C(C(=C1)N(C)C)C>C(Cl)(Cl)(Cl)[H].C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>Cl.Cl.ClC=1C=C(CN[C@H]2CC[C@H](CC2)NC2=NC=C(C(=C2)N(C)C)C)C=CC1F
3
C12(CC3CC(CC(C1)C3)C2)N.C1(=CC=CC=C1)N1C[C@H](CCC1)C(=O)O>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>C12(CC3CC(CC(C1)C3)C2)NC(=O)[C@@H]2CN(CCC2)C2=CC=CC=C2
3
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([OH:28])[CH:9]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([CH2:20][C:21]([F:27])([F:26])[C:22]([F:25])([F:24])[F:23])=[CH:16][CH:15]=2)C(O)=O)[CH:5]=[CH:6][CH:7]=1.C([N:31]([CH2:34]C)CC)C.C1(P(N=[N+]=[N-])(C2C=CC=CC=2)=[O:43])C=CC=CC=1>O1CCCC1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]2[O:28][C:34](=[O:4...
1
[C:1]1([P:7]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)([C:9]2[CH:10]=[CH:11][CH:12]=[C:13]3[C:18]=2[NH:17][CH:16]([CH3:19])[CH2:15][CH2:14]3)=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CCN(CC)CC.Cl[SiH](Cl)Cl.[OH-].[Na+]>C(Cl)Cl>[C:20]1([P:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[C:9]2[CH:10]=[CH:11][CH:12]=[C:13]3...
1
C(C=O)(=O)OCC.NC1=C(C=CC=C1)N>>OC1=NC2=CC=CC=C2N=C1
5
[CH2:1]([C:6]1[CH:11]=[CH:10][C:9](Br)=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH:4]=[CH2:5].C([Li])CCC.[C:18](=O)=[O:19].CC(C)=O.CN(C)C=O>O1CCCC1.CCCCCC.O>[CH2:1]([C:6]1[CH:11]=[CH:10][C:9]([CH:18]=[O:19])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH:4]=[CH2:5]
1
C(C)(C)(C)S(=O)N.COC(C(CCC=O)C1=C(N=C2N1C=C(C=C2)C)C2=CC=C(C=C2)C)=O>>COC(C(CCCNS(=O)C(C)(C)C)C1=C(N=C2N1C=C(C=C2)C)C2=CC=C(C=C2)C)=O
5
[CH3:1][S:2][CH2:3][CH2:4][CH2:5][OH:6].[S:7](Cl)([C:10]1[CH:16]=[CH:15][C:13]([CH3:14])=[CH:12][CH:11]=1)(=[O:9])=[O:8].N1C=CC=CC=1>C(Cl)Cl>[CH3:14][C:13]1[CH:15]=[CH:16][C:10]([S:7]([O:6][CH2:5][CH2:4][CH2:3][S:2][CH3:1])(=[O:9])=[O:8])=[CH:11][CH:12]=1
2
C(CCC)[Sn](C1=CC=CC(=N1)C(=O)OC)(CCCC)CCCC.BrC=1SC(=C(N1)C1=CC(=C(C=C1)Cl)Cl)CC(C)C>O.CN1C(CCC1)=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC=1C=C(C=CC1Cl)C=1N=C(SC1CC(C)C)C1=CC=CC(=N1)C(=O)OC
3
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:12]=[C:13]3[CH2:19][C@H:18]([CH:20]4[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]4)[O:17][C:14]3=[CH:15][N:16]=2)=[CH:7][CH:6]=1)(=[O:4])=[O:3].[F:26][C:27]([F:44])([F:43])[C@H:28]([O:30][C:31](=O)[O:32]C1C=CC([N+]([O-])=O)=CC=1)[CH3:29]>>[F:26][C:27]([F:44])([F:43])[C@H:28](...
1
CC=1C=C(C=CC1CCCCN1N=NC=C1)O.ClCC=1C=CC(=NC1)C1=CC=C(C=C1)Cl>N(C)(C)C=O.[H-].[Na+]>ClC1=CC=C(C=C1)C1=NC=C(C=C1)COC1=CC(=C(C=C1)CCCCN1N=NC=C1)C
3
[Cl:1][C:2]1[C:3]2[C:10]([I:11])=[CH:9][NH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[H-].[Na+].[H][H].S(O[CH:27]1[CH2:31][CH2:30][O:29][CH2:28]1)(C1C=CC(C)=CC=1)(=O)=O>CN(C)C=O.O>[Cl:1][C:2]1[C:3]2[C:10]([I:11])=[CH:9][N:8]([CH:27]3[CH2:31][CH2:30][O:29][CH2:28]3)[C:4]=2[N:5]=[CH:6][N:7]=1
1
[Br:1][C:2]1[CH:7]=[C:6]([NH:8][S:9]([CH3:12])(=[O:11])=[O:10])[C:5](I)=[CH:4][N:3]=1.[C:14]([C:16]1[CH:17]=[N:18][N:19]([CH2:21][C:22]2[CH:26]=[C:25]([CH3:27])[O:24][N:23]=2)[CH:20]=1)#[CH:15].C(N(CC)CC)C>CN(C=O)C.O.ClCCl.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]...
1
[NH:1]1[CH2:6][CH2:5][O:4][CH:3]([CH:7]([C:9]2[CH:10]=[N:11][CH:12]=[CH:13][CH:14]=2)[OH:8])[CH2:2]1.BrC1C=NC=CC=1.[F:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1O>>[F:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[O:8][C@@H:7]([C:9]1[CH:10]=[N:11][CH:12]=[CH:13][CH:14]=1)[C@H:3]1[O:4][CH2:5][CH2:6][NH:1][CH2:2]1
1
Cl.C([O:6][C:7](=[O:35])[CH2:8][N:9]([S:17]([C:20]1[CH:29]=[C:28]2[C:23]([C:24]([Cl:34])=[CH:25][N:26]=[C:27]2[NH:30][C:31]([NH2:33])=[NH:32])=[CH:22][CH:21]=1)(=[O:19])=[O:18])[CH2:10][CH:11]1[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1)(C)(C)C>O1CCOCC1>[ClH:34].[Cl:34][C:24]1[C:23]2[C:28](=[CH:29][C:20]([S:17]([N:9]([CH...
1
C(=O)(OCC)C=1OC2=C(C(C1C1=CC=C(C=C1)OC)=O)C(=CC(=C2)OCC2=CC=C(C=C2)OCC2=NC1=CC=CC=C1C=C2)O>O.CCO[H].C(O)([O-])=O.[Na+]>C(=O)(O)C=1OC2=C(C(C1C1=CC=C(C=C1)OC)=O)C(=CC(=C2)OCC2=CC=C(C=C2)OCC2=NC1=CC=CC=C1C=C2)O
3
Cl.CNOC.C(C1=CC=CC=C1)OC=1C=C(C=CC1)C1CC(CC1)CC(=O)O>ClCCl.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(C1=CC=CC=C1)OC=1C=C(C=CC1)C1CC(CC1)CC(=O)N(C)OC
3
Cl.C(OC([N:9]1[CH2:14][CH2:13][N:12]([C:15]2[N:24]=[C:23]([C:25]3[CH:30]=[CH:29][C:28]([F:31])=[CH:27][C:26]=3[F:32])[C:22]3[C:17](=[CH:18][C:19]([F:33])=[CH:20][CH:21]=3)[N:16]=2)[C@@H:11]([CH3:34])[CH2:10]1)=O)(C)(C)C>ClCCl>[F:32][C:26]1[CH:27]=[C:28]([F:31])[CH:29]=[CH:30][C:25]=1[C:23]1[C:22]2[C:17](=[CH:18][C:19](...
2
C(C1=CC=CC=C1)O[C@H]1[C@@H](OCC=C)O[C@@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>C(C1=CC=CC=C1)O[C@H]1[C@@H](OCC=C)O[C@@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)CO
3
[F-:1].[K+].C(O)COCCO.C1(C)C=CC=CC=1.Br[CH:18]([C:22]([C:24]1[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][CH:25]=1)=[O:23])[CH2:19][CH2:20]Cl>O>[Cl:30][C:27]1[CH:28]=[CH:29][C:24]([C:22]([C:18]2([F:1])[CH2:20][CH2:19]2)=[O:23])=[CH:25][CH:26]=1
1
C1(=CC=CC=C1)C1=NOC(=C1)CN1CCC(CC1)CO>>CC1=CC=C(C=C1)S(=O)(=O)OCC1CCN(CC1)CC1=CC(=NO1)C1=CC=CC=C1
5
N1(CCCC1)CCCCl.N1(N=CC2=CC=CC=C12)C1=CC=C(C=C1)O>N(C)(C)C=O.[I-].[Na+].[H-].[Na+]>N1(CCCC1)CCCOC1=CC=C(C=C1)N1N=CC2=CC=CC=C12
3
FC1=NC(=C2N=C(N(C2=N1)CCOCCOC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)CC1=CC2=C(OCO2)C=C1I)N>C(=O)(C(F)(F)F)O>NC1=C2N=C(N(C2=NC(=N1)F)CCOCCO)CC1=CC2=C(OCO2)C=C1I
3
C(O[C:6](=O)[N:7]([C@@H:9]([CH3:46])[C:10]([NH:12][C@@H:13]([CH:40]1[CH2:45][CH2:44][O:43][CH2:42][CH2:41]1)[C:14]([N:16]1[C@H:21]([C:22](=[O:34])[NH:23][C@H:24]2[C:33]3[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=3)[O:27][CH2:26][CH2:25]2)[CH2:20][N:19]2[CH2:35][C:36]([F:39])([F:38])[CH2:37][C@@H:18]2[CH2:17]1)=[O:15])=[O:11...
2
ClCC(=O)C=1SC(=CN1)C>C1CCCO1.CO[H].[Na+].[BH4-]>ClCC(O)C=1SC(=CN1)C
3
[CH3:1][O-:2].[Na+].[NH2:4][C:5]1[C:14]([CH3:15])=[C:13]([CH3:16])[CH:12]=[C:11]2[C:6]=1[N:7]=[C:8](Cl)[C:9](Cl)=[N:10]2.[O:19]1[CH2:23]CCC1>C(OCC)(=O)C>[NH2:4][C:5]1[C:14]([CH3:15])=[C:13]([CH3:16])[CH:12]=[C:11]2[C:6]=1[N:7]=[C:8]([O:19][CH3:23])[C:9]([O:2][CH3:1])=[N:10]2
1
[I:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[C:11]([F:14])([F:13])[F:12])[CH2:7][NH:6][CH2:5]2.[CH3:15][S:16]([C:19]1[CH:20]=[CH:21][C:22]([O:28][C@@H:29]([CH3:34])[C:30]([F:33])([F:32])[F:31])=[C:23]([CH:27]=1)[C:24](O)=[O:25])(=[O:18])=[O:17]>>[I:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][C:10]=1[C:11]([F:12])([F:14])[F:13]...
1
N(=C=O)C1=C2C=CN=CC2=CC=C1.ClC1=CC=C(C=C1)N1CCNCC1>>ClC1=CC=C(C=C1)N1CCN(CC1)C(=O)NC1=C2C=CN=CC2=CC=C1
5
[CH3:1][C:2]([O:4][CH2:5][C:6]1[CH2:15][S:14][C@@H:9]2[C@H:10]([NH2:13])[C:11](=[O:12])[N:8]2[C:7]=1[C:16]([OH:18])=[O:17])=[O:3].[C:19]1([S:25][CH2:26][S:27][CH2:28][C:29](Cl)=[O:30])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>>[C:2]([O:4][CH2:5][C:6]1[CH2:15][S:14][CH:9]2[N:8]([C:11](=[O:12])[CH:10]2[NH:13][C:29](=[O:30]...
1
CC=1N=C(SC1)C1CCN(CC1)C(=O)OC(C)(C)C>>Cl.CC=1N=C(SC1)C1CCNCC1
5
COC(C1=CC(=CC=C1)CNC(=O)[C@@H]1N[C@H]([C@]([C@H]1C1=C(C(=CC=C1)Cl)F)(C#N)C1=C(C=C(C=C1)Cl)F)CC(C)(C)C)=O>CO[H].[OH-].[Na+]>ClC=1C(=C(C=CC1)[C@H]1[C@@H](N[C@H]([C@]1(C#N)C1=C(C=C(C=C1)Cl)F)CC(C)(C)C)C(=O)NCC=1C=C(C(=O)O)C=CC1)F
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:15]2[O:16][C:17]3[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=3[N:19]=2)[CH:6]=[CH:7][C:8]=1[CH2:9][N:10]1[CH:14]=CN=[N:11]1.BrCC1C=CC([C:32]2OC3C=CC=CC=3[N:36]=2)=CC=1OC.N1C=NC=N1>>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:15]2[O:16][C:17]3[CH:23]=[CH:22][CH:21]=[CH:20][C:18]=3[N:19]=2)[CH:6]=[CH:7][...
1
[OH:1][C:2]1[C:7]([CH:8]=[O:9])=[CH:6][C:5]([O:10][CH3:11])=[N:4][CH:3]=1.[Cl:12][C:13]1[N:14]=[CH:15][C:16]2[C:21]([C:22]=1[CH2:23]Cl)=[CH:20][CH:19]=[CH:18][CH:17]=2.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C>[Cl:12][C:13]1[N:14]=[CH:15][C:16]2[C:21]([C:22]=1[CH2:23][O:1][C:2]1[C:7]([CH:8]=[O:9])=[CH:6][C:5]([O:10][CH3:11])=...
1
C(C)(=O)OCC1=C(C=CC=C1B1OC(C(O1)(C)C)(C)C)N1C(C2=C(CC1)C1=C(S2)CCCC1)=O.BrC=1C=C(C(N(C1)C)=O)NC1=NN2C(CN(CC2)C)=C1>CC#N.O.C(C)(=O)[O-].[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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(=O)OCC1=C(C=CC=C1N1CCC=2C=3CCCCC3SC2C1=O)...
3
IC1=CC=C(C=C1)Br.C1(CC1)C1=C(C=CC=C1)C1NCC(C1)(F)F>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+].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=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>BrC1=CC=C(C=C1)N1C(CC(C1)(F...
3
[Cl:1][C:2]1[C:3]([O:12][C:13]2[CH:18]=[C:17]([OH:19])[CH:16]=[CH:15][C:14]=2/[CH:20]=[CH:21]/[C:22]([O:24][CH2:25][CH3:26])=[O:23])=[N:4][CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[I-].[Na+].Br[CH2:36][CH2:37][CH:38]1[O:42][CH2:41][CH2:40][O:39]1>CN(C)C=O.O>[Cl:1][C:2]1[C:3]([O:12][C:13...
2
COC(CC1=C(C=CC(=C1)OCC1=CC=C(C=C1)F)CO)=O>>COC(CC1=C(C=CC(=C1)OCC1=CC=C(C=C1)F)C=O)=O
5
CI.C(C1=CC=CC=C1)OCC[C@@H](CO)N1CCN(CCC1=O)C1=CC(=CC=C1)C(F)(F)F>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OCC[C@@H](COC)N1CCN(CCC1=O)C1=CC(=CC=C1)C(F)(F)F
3
Cl[C:2]1[N:3]=[N:4][C:5]([N:10]2[CH2:15][CH2:14][N:13]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][N:17]=3)[CH2:12][CH2:11]2)=[C:6]([CH3:9])[C:7]=1[CH3:8].[C:26](#[N:28])[CH3:27].[Li+].C[Si]([N-][Si](C)(C)C)(C)C>C1(C)C=CC=CC=1>[CH3:8][C:7]1[C:6]([CH3:9])=[C:5]([N:10]2[CH2:15][CH2:14][N:13]([C:16]...
1
Br[C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([C:9]([N:11]2[CH2:16][CH2:15][CH:14]([N:17]3[CH2:21][CH2:20][CH2:19][C@H:18]3[CH2:22][OH:23])[CH2:13][CH2:12]2)=[O:10])=[C:4]([CH3:24])[CH:3]=1.[F:25][C:26]([F:38])([F:37])[O:27][C:28]1[CH:33]=[CH:32][C:31](B(O)O)=[CH:30][CH:29]=1>>[CH3:24][C:4]1[CH:3]=[C:2]([C:31]2[CH:30]=[CH:29][C:2...
1