Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
FC1=CC=C(C=C1)[C@@H]1C[C@@H](N(C(C1)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C>C1CCCO1.CO[H].CSC.B>FC1=CC=C(C=C1)[C@@H]1C[C@@H](N(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
3
[CH2:1]([CH:5]([CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH2:19][CH2:20][NH:21][C:22](=[O:35])[C:23]2[CH:28]=[CH:27][C:26]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][N:30]=3)=[CH:25][CH:24]=2)=[CH:14][CH:13]=1)[C:6]([O:8]CC)=[O:7])[CH2:2][CH2:3][CH3:4].[OH-].[Na+]>>[CH2:1]([CH:5]([CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18...
1
C(C)C=1NC2=C(N1)C=CC=C2.ClC1=NC(=C2N=C(N(C2=N1)C)C=O)N1CCOCC1>>C(C)C1=NC2=C(N1C1=NC(=C3N=C(N(C3=N1)C)C=O)N1CCOCC1)C=CC=C2
5
Br[C:2]1[CH:3]=[C:4]([CH:18]=[CH:19][CH:20]=1)[CH2:5][N:6]1[C:11]2[CH:12]=[CH:13][S:14][C:10]=2[C:9](=[O:15])[N:8]([OH:16])[C:7]1=[O:17].[NH2:21][C:22]([C:24]1[CH:29]=[CH:28][C:27](B(O)O)=[CH:26][CH:25]=1)=[O:23]>>[OH:16][N:8]1[C:9](=[O:15])[C:10]2[S:14][CH:13]=[CH:12][C:11]=2[N:6]([CH2:5][C:4]2[CH:3]=[C:2]([C:27]3[CH:...
1
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC(=NC2=C(C(=C(C=C12)Cl)C1=C(C=CC=C1O)F)F)NCCC(=O)O>CO[H].Cl>ClC=1C=C2C(=NC(=NC2=C(C1C1=C(C=CC=C1O)F)F)NCCC(=O)OC)N1CCNCC1
3
Cl.COC1=C(N)C=CC(=C1)OC>>COC1=C(C=CC(=C1)OC)NC(C(F)(F)F)=O
5
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:10])[CH3:9])=[C:4]2[O:11][C:12]([C:14]3[C:19]([O:20][C:21]([C:23]4[C:28]([O:29][C:30](=[O:31])[C:3]=12)=[C:27]([CH:32]([CH3:34])[CH3:33])[CH:26]=[CH:25][C:24]=4[CH3:35])=[O:22])=[C:18]([CH:36]([CH3:38])[CH3:37])[CH:17]=[CH:16][C:15]=3[CH3:39])=[O:13].[CH3:40][Br:41]>CC(C)(CC(...
1
C(C1=CC=CC=C1)SC(C[C@@H](C(=O)OCC#N)NC(CCC=C)=O)=O.C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)O)O>O.C1CCCO1.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)SC(C[C@H](C(=O)O[C@@H]1[C@@H](O[C@H]([C@@H]1O)N1C2=NC=NC(=C2N=C1)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1)N1C(N=C(C=C1)N...
3
C(CO)O.CC1C(CCCC1S(=O)(=O)C1=CC=CC=C1)=O>C1=CC=CC=C1.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(O)([O-])=O.[Na+]>C1OC2(C(C(CCC2)S(=O)(=O)C2=CC=CC=C2)C)OC1
3
[CH2:1]([C:5]1([C:18]([O:20][CH3:21])=[O:19])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8](=[O:15])[CH:7]=[C:6]1[O:16]C)[CH2:2][CH2:3][CH3:4].I[Si](C)(C)C>C(#N)C>[CH2:1]([C:5]1([C:18]([O:20][CH3:21])=[O:19])[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[C:8](=[O:15])[CH2:7][C:6]1=[O:16])[CH2:2][CH2:3][CH3:4]
1
C[O:2][C:3]1[CH:12]=[CH:11][C:10]2[C:5](=[CH:6][CH:7]=[C:8]([O:13][CH3:14])[CH:9]=2)[C:4]=1[C:15]([C:17]1[CH:22]=[CH:21][C:20]([O:23][CH2:24][CH2:25][N:26]2[CH2:31][CH2:30][CH2:29][CH2:28][CH2:27]2)=[CH:19][CH:18]=1)=[O:16].B(Cl)(Cl)Cl.C(=O)(O)[O-].[Na+]>C(Cl)(Cl)Cl>[OH:2][C:3]1[CH:12]=[CH:11][C:10]2[C:5](=[CH:6][CH:7]...
1
BrC1=C2C(=C(N=C1)N1CCC(CC1)CCNC(C(C)(C)C)=O)SC(=C2)C(=O)N>CO[H].[HH].[Pd]>C(C(C)(C)C)(=O)NCCC1CCN(CC1)C=1N=CC=C2C1SC(=C2)C(=O)N
3
Cl[C:2]1[N:7]=[CH:6][N:5]=[C:4]([N:8]2[CH2:12][C@H:11]([C:13]3[CH:18]=[C:17]([F:19])[C:16]([F:20])=[CH:15][C:14]=3[F:21])[C@@H:10]([NH:22]C(=O)OC(C)(C)C)[CH2:9]2)[N:3]=1.[CH3:30][S:31]([C:34]1[CH:35]=[C:36](B(O)O)[CH:37]=[CH:38][CH:39]=1)(=[O:33])=[O:32].C([O-])([O-])=O.[Na+].[Na+]>Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC...
2
[F:1][C:2]1[CH:3]=[CH:4][C:5]([S:10][CH3:11])=[C:6]([CH2:8][NH2:9])[CH:7]=1.[NH2:12][C:13]1[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][C:14]=1[C:15](O)=[O:16].N[C:27]1C(Br)=CC(C(F)(F)F)=CC=1C(NCC1C=C(Cl)C=CC=1SCC)=O.C1C=CC2N(O)N=NC=2C=1>>[F:1][C:2]1[CH:3]=[CH:4][C:5]([S:10][CH3:11])=[C:6]([CH2:8][N:9]2[...
2
C(O)(=O)C.[F:5][C:6]([F:26])([F:25])[O:7][C:8]1[CH:13]=[CH:12][C:11]([N:14]2[CH2:18][CH2:17][C:16]3([CH2:23][CH2:22][NH:21][CH2:20][CH2:19]3)[C:15]2=[O:24])=[CH:10][CH:9]=1.[CH3:27][C:28]1[C:32]([S:33](Cl)(=[O:35])=[O:34])=[C:31]([CH3:37])[O:30][N:29]=1>>[CH3:27][C:28]1[C:32]([S:33]([N:21]2[CH2:20][CH2:19][C:16]3([C:15...
1
COC=1C=C2CNCC2=CC1.ClC1=NC=C(C(=N1)NC=1C=C2C=NNC2=CC1)F>>FC=1C(=NC(=NC1)N1CC2=CC=C(C=C2C1)OC)NC=1C=C2C=NNC2=CC1
5
IC1=CC=C(C=C1)OC.ClC=1C=CC2=C(NC(N(C2)C2=CC3=CN(N=C3C=C2)C)=O)N1>[Cu]I.CS(=O)C.[F-].[Cs+].CN[C@H]1[C@@H](CCCC1)NC>ClC=1C=CC2=C(N(C(N(C2)C2=CC3=CN(N=C3C=C2)C)=O)C2=CC=C(C=C2)OC)N1
3
[Br:1][C:2]1[N:7]=[C:6]([CH:8]=O)[CH:5]=[CH:4][CH:3]=1.[CH:10]([C:13]1[N:17]=[C:16]([CH2:18][NH2:19])[O:15][N:14]=1)([CH3:12])[CH3:11].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)(O)[O-].[Na+].C(=O)([O-])[O-].[Na+].[Na+]>ClC(Cl)C.C(OCC)(=O)C>[Br:1][C:2]1[N:7]=[C:6]([CH2:8][NH:19][CH2:18][C:16]2[O:15][N:14]=[C:13]([CH:10]...
1
[Cl:1][C:2]1[C:3]([CH2:8][NH:9][C:10]([C@@H:12]2[CH2:16][CH2:15][N:14]([C:17]([O:19][CH2:20][C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=3)=[O:18])[CH2:13]2)=O)=[N:4][CH:5]=[CH:6][N:7]=1.P(Cl)(Cl)(Cl)=O.C(=O)([O-])O.[Na+].O>C(OCC)(=O)C.CN(C)C=O>[Cl:1][C:2]1[C:3]2[N:4]([C:10]([C@@H:12]3[CH2:16][CH2:15][N:14]([C:17]([O:1...
1
NC=1SC(=C(N1)C(=O)OCC)CC1=CC=CC=C1>c1ccncc1.C(C)(=O)Cl>C(C)(=O)NC=1SC(=C(N1)C(=O)OCC)CC1=CC=CC=C1
3
C1(O)=CC(O)=CC=C1.C(C1=CC=CC=C1)OC1=CC=C2CN(C(C2=C1F)=O)C[C@@H]1CC[C@H](CC1)C(C)O>C1(=CC=CC=C1)C.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>OC=1C=C(OC(C)[C@@H]2CC[C@H](CC2)CN2C(C3=C(C(=CC=C3C2)OCC2=CC=CC=C2)F)=O)C=CC1
3
COC(C(CC=1C=NC=CC1NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)=O>>Cl.Cl.NC1C(NC2=CC=NC=C2C1)=O
5
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[N:14]=[CH:13][C:12]([CH:15]=O)=[CH:11][CH:10]=1.[CH3:19][NH:20][CH2:21][CH:22]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[OH:23].[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>>[CH3:19][N:20]([CH2:21][CH:22]([C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=...
2
C(#N)C=1C=C2[C@@](C(N(C2=CC1)S(=O)(=O)C1=C(C=C(C=C1)OC)OC)=O)(C=1C(=NC=CC1)OCC)NC(=O)N1CCN(CC1)C1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>C(#N)C=1C=C2[C@@](C(N(C2=CC1)S(=O)(=O)C1=C(C=C(C=C1)OC)OC)=O)(C=1C(=NC=CC1)OCC)NC(=O)N1CCN(CC1)C1CCNCC1
3
[NH:1]([C:3]1[N:4]=[N:5][C:6]2[CH:12]=[C:11]([Cl:13])[CH:10]=[CH:9][C:7]=2[N:8]=1)[NH2:2].[C:14]([CH2:17][C:18](=O)[CH3:19])(=O)[CH3:15]>C(O)C>[CH3:15][C:14]1[CH:17]=[C:18]([CH3:19])[N:1]([C:3]2[N:4]=[N:5][C:6]3[CH:12]=[C:11]([Cl:13])[CH:10]=[CH:9][C:7]=3[N:8]=2)[N:2]=1
1
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([F:11])[C:3]=1[CH:4](O)[CH3:5].S(Cl)([Cl:14])=O>C(Cl)(Cl)Cl>[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([F:11])[C:3]=1[CH:4]([Cl:14])[CH3:5]
1
C(C)(=O)Cl.NCC=1C=C(C=C2C=C(NC12)C(C)(C)C)NC(=O)C1(CC1)C1=CC2=C(OCO2)C=C1>N(C)(C)C=O.CCN(CC)CC>C(C)(=O)NCC=1C=C(C=C2C=C(NC12)C(C)(C)C)NC(=O)C1(CC1)C1=CC2=C(OCO2)C=C1
3
C[S-].[Na+].FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C=1C(=CC(=NC1)N1CCC(CC1)COS(=O)(=O)C)C1=C(C=C(C=C1)F)C)C)(C)C)(F)F>>FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C(=CC(=NC1)N1CCC(CC1)CSC)C1=C(C=C(C=C1)F)C)(C)C)(F)F
5
C[Si](C)(C)[C:3]1[NH:7][N:6]=[N:5][C:4]=1[C:8]1[CH:13]=[CH:12][N:11]=[C:10]([C:14]2[N:15]=[CH:16][N:17]([CH3:19])[CH:18]=2)[CH:9]=1.[OH-].[Na+].O>CO>[CH3:19][N:17]1[CH:18]=[C:14]([C:10]2[CH:9]=[C:8]([C:4]3[N:5]=[N:6][NH:7][CH:3]=3)[CH:13]=[CH:12][N:11]=2)[N:15]=[CH:16]1
2
Cl.FC1(CNC1)F.CC(C)(C1=NOC(=N1)C)NC(=O)C1=NC(=C(N=C1)Br)C1=CC(=CC=C1)Cl>CS(=O)C.C1CCC2=NCCCN2CC1>CC(C)(C1=NOC(=N1)C)NC(=O)C1=NC(=C(N=C1)N1CC(C1)(F)F)C1=CC(=CC=C1)Cl
3
NC1=NC=C(C=C1C(=O)OC)C(F)(F)F>O.CO[H].O[Li].O>NC1=NC=C(C=C1C(=O)O)C(F)(F)F
3
N1=C(C=CC=C1)C1=C(C=C2C=CC=CN12)C(C)N.ClC1=C(C(=NC=N1)N)C#CCO[Si](C(C)C)(C(C)C)C(C)C>>N1=C(C=CC=C1)C1=C(C=C2C=CC=CN12)C(C)NC1=NC=NC(=C1C#CCO[Si](C(C)C)(C(C)C)C(C)C)N
5
ClC1=CC(=NC=C1)NC(OC(C)(C)C)=O>>COC(CN(C1=NC=CC(=C1)Cl)C(=O)OC(C)(C)C)=O
5
Cl.C12CCC(CC1)N2.ClC1=C(C=CC(=C1Cl)C(C(F)(F)F)(C(F)(F)F)O)C1=C(N=C(S1)C(NCC(C)(C)O)=O)C(=O)O>>C12CCC(CC1)N2C(=O)C=2N=C(SC2C2=C(C(=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)Cl)Cl)C(=O)NCC(C)(C)O
5
O1CCN(CC1)C1=CC=C(C(=O)O)C=C1.NC=1C=CC(=C(NC2=NC(=NC(=C2)C(F)(F)F)C2=CC=NC=C2)C1)C>>CC1=C(C=C(C=C1)NC(C1=CC=C(C=C1)N1CCOCC1)=O)NC1=NC(=NC(=C1)C(F)(F)F)C1=CC=NC=C1
3
[CH3:1][O:2][C:3](=[O:7])[C:4]#[C:5][Br:6].[N:8]1([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH:12]=[CH:11][CH:10]=[CH:9]1>>[CH3:1][O:2][C:3]([C:4]1[CH:12]2[N:8]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH:9]([C:5]=1[Br:6])[CH:10]=[CH:11]2)=[O:7]
2
[CH3:1][C:2]1[C:3](=[O:25])[CH2:4][CH2:5][C:6]2([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)[C:11]=1[CH2:10][CH2:9][CH2:8][CH:7]2[O:12]C1CCCCO1>C(O)C.[Pd]>[OH:12][CH:7]1[CH2:8][CH2:9][CH2:10][CH:11]2[C:6]1([C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=1)[CH2:5][CH2:4][C:3](=[O:25])[CH:2]2[CH3:1]
2
COC=1C=C(C=O)C=C(C1O)OC>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>CS(=O)(=O)OC1=C(C=C(C=C1OC)C=O)OC
3
C(C)OC(CCC(=NO)C=1C=C2C3=CC(=C4C(=C3N(C2=CC1)CC(CCCC)CC)C=CC=C4)C(C4=CC=C(C=C4)N4C1=CC=CC=C1C=1C=C(C=CC41)C(CCC(=O)OCCC)=NO)=O)=O>C1CCCO1.CCN(CC)CC.C(C)(=O)Cl>C(C)OC(CCC(=NOC(C)=O)C=1C=C2C3=CC(=C4C(=C3N(C2=CC1)CC(CCCC)CC)C=CC=C4)C(C4=CC=C(C=C4)N4C1=CC=CC=C1C=1C=C(C=CC41)C(CCC(=O)OCCC)=NOC(C)=O)=O)=O
3
O=C1NC2=C(CCN1C1CCN(CC1)C(=O)O[C@@H](C(=O)N1CCC(CC1)C1CCN(CC1)CC(=O)OCC)CC1=CC3=C(NC(O3)=O)C(=C1)C)C=CC=C2>>O=C1NC2=C(CCN1C1CCN(CC1)C(=O)O[C@@H](C(=O)N1CCC(CC1)C1CCN(CC1)CC(=O)O)CC1=CC3=C(NC(O3)=O)C(=C1)C)C=CC=C2
5
Cl.Cl.FC=1C=C(C=CC1)C=1NC(=C(N1)C=1C=NC=CC1)CCl.CSC.[Na]>>FC=1C=C(C=CC1)C=1NC(=C(N1)C=1C=NC=CC1)CSC
5
C(CC)OC1=CSC=C1OCCC.C(C(CCO)O)O>C1(=CC=C(C=C1)S(=O)(=O)O)C>O1C=2C(OCC1CCO)=CSC2
3
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.[NH2:10][CH2:11][C:12]([OH:14])=[O:13].[CH2:15]=O.[Cl-].[K+].N>O.C1COCC1>[NH2:10][C@H:11]([C:12]([OH:14])=[O:13])[CH2:15][C:3]1[C:4]2[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=2)[NH:1][CH:2]=1
1
COC1=CC=C(C=C1)S.FC(C(=O)N[C@@H](CC1=CC=C(C=C1)I)C)(F)F>>FC(C(=O)N[C@@H](CC1=CC=C(C=C1)SC1=CC=C(C=C1)OC)C)(F)F
5
CC1=NC=CC(=C1)C1=NN(C2=CC=C(C=C12)C(=O)OC)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>CC1=NC=CC(=C1)C1=NN(C2=CC=C(C=C12)C(=O)NN)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
5
BrC1=CC2=C(N=C(C(N2)=O)C2=CC=CC=C2)N=C1>P(=O)(Cl)(Cl)Cl>BrC1=CC=2C(=NC(=C(N2)Cl)C2=CC=CC=C2)N=C1
3
CN(C(OC(C)(C)C)=O)CC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=C(COC2=C(C=CC=C2)CC(=O)OC)C=CC1>>C(C)(C)(C)OC(=O)N(C)CC=1C=C(C=CC1)C1=CC(=CC=C1)COC1=C(C=CC=C1)CC(=O)OC
5
[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[CH:7][C:6]([NH2:11])=[C:5]([CH:12]2[CH2:17][C:16]([CH3:19])([CH3:18])[CH2:15][C:14]([CH3:21])([CH3:20])[CH2:13]2)[CH:4]=1.Cl.Cl[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]Cl>ClC1C=CC=CC=1Cl>[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[CH:7][C:6]([N:11]2[CH2:28][CH2:27][NH:26][CH2:25][CH2:2...
1
Cl.C[C:3]1[N:7]([C:8]2[CH:9]=[N:10][CH:11]=[CH:12][CH:13]=2)[N:6]=[N:5][C:4]=1[C:14]1[CH2:15][CH2:16][N:17](C(OC(C)(C)C)=O)[CH2:18][CH:19]=1>O1CCOCC1>[N:10]1[CH:11]=[CH:12][CH:13]=[C:8]([N:7]2[CH:3]=[C:4]([C:14]3[CH2:15][CH2:16][NH:17][CH2:18][CH:19]=3)[N:5]=[N:6]2)[CH:9]=1
1
C(OC([NH:11][CH2:12][CH2:13][CH2:14][C@H:15]([NH:71]C(=O)OCC1C=CC=CC=1)[C:16]([NH:18][CH2:19][CH:20]([OH:70])[CH2:21][NH:22][C:23]([C@H:25]1[N:43]([CH3:44])[C:42](=[O:45])[C@H:41]([CH2:46][C@@H:47]([OH:57])[CH2:48][NH:49][C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=[O:51])[NH:40][C:39](=[O:58])[C@@H:38]([NH:59][C:6...
2
CC=1SC(=CC1C=1C(=C(CNC2=CC3=C([C@@H](CO3)CC(=O)OC)C=C2)C=CC1)C)C>C1CCCO1.CO[H].[OH-].[Na+]>CC=1SC(=CC1C=1C(=C(CNC2=CC3=C([C@@H](CO3)CC(=O)O)C=C2)C=CC1)C)C
3
CN.O.ClC1=NC=2SC=3CCCC3C2C(=N1)NC1CCC(CC1)N(C)C>>CN(C1CCC(CC1)NC1=NC(=NC=2SC=3CCCC3C12)NC)C
3
O=[CH:2][C@@H:3]([NH:5][C:6](=[O:12])[O:7][C:8]([CH3:11])([CH3:10])[CH3:9])[CH3:4].[NH2:13][CH:14]([C:17]([F:20])([F:19])[F:18])[CH2:15][OH:16].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl>[F:18][C:17]([F:20])([F:19])[CH:14]([NH:13][CH2:2][C@@H:3]([NH:5][C:6](=[O:12])[O:7][C:8]([CH3:11])([CH3:10])[CH3:9])[CH3:4])[CH2:1...
1
C(CC)C1=NC=CC=C1>O(O[H])[H].[OH-].[Na+].C(C)(=O)O>C(CC)C1=[N+](C=CC=C1)[O-]
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.Cl.NC(C(=O)O)CC=1C=C2C=CN=C(C2=CC1)N>>NC1=NC=CC2=CC(=CC=C12)CC(C(N1CCCCC1)=O)NC(OC(C)(C)C)=O
5
C(C1=CC=CC=C1)OC1=C(C=C(C=C1)C1=CN=C2N1N=C(C=C2)N[C@@H]2CC[C@H](CC2)O)F>>FC1=C(C=CC(=C1)C1=CN=C2N1N=C(C=C2)N[C@@H]2CC[C@H](CC2)O)O
5
C(O)(=O)/C=C/C(O)=O.C[C:10]1[N:11]2[CH2:18][CH2:17][N:16]=[C:12]2[CH2:13][S:14][CH:15]=1.C(O)(=O)/C=C/C(O)=O.N1CCN2CCCSC=12.C(O)(=O)/C=C/C(O)=O.N1CCN2C=CCSC=12>>[N:16]1[CH2:17][CH2:18][N:11]2[CH:10]=[CH:15][S:14][CH2:13][C:12]=12
1
[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]#[N:8])[CH:3]=1.F[C:10]1C=CC(C2OC3C=CC(C4C=CC(C5C=CC=C(C(O)=O)C=5)=C(C(=O)NCC(C)C)C=4)=CC=3C=2C(=O)NC)=C[CH:11]=1.CC[Mg+].[Br-].[OH-].[Na+]>C1COCC1.C(Cl)Cl>[CH3:1][C:2]1[O:6][N:5]=[C:4]([C:7]2([NH2:8])[CH2:11][CH2:10]2)[CH:3]=1
1
P([O:13][CH2:14][C@H:15]1[O:19][C@@H:18]([N:20]2[C:29]3[N:28]=[CH:27][N:26]=[C:24]([NH2:25])[C:23]=3[N:22]=[CH:21]2)[C@H:17]([OH:30])[C@@H:16]1[OH:31])(OP(OP(O)(O)=O)(O)=O)(=O)O.P(OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1O)(OP(O)(O)=O)(=O)O.C1N=C(N)C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C=2N=1>>[C...
2
CC1=CC=C(CO)C=C1>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.[O].C(C)(=O)[O-].[Na+].C(CCC)P(CCCC)(CCCC)=O>CC1=CC=C(C=O)C=C1
3
ClC1=CC(=C(COC2=C(C=CC(=N2)C2CCN(CC2)C(=O)OC(C)(C)C)F)C=C1)F>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.ClC1=CC(=C(COC2=NC(=CC=C2F)C2CCNCC2)C=C1)F
3
CN1C=NC(=C1)C1=CC=C(C#N)C=C1>>ClC1=C(N=CN1C)C1=CC=C(C#N)C=C1
5
BrCC1=CC=C2COC(=O)C2=C1.BrC=1C(=NN2C1C=CC(=C2[Si](C)(C)C)OC)C2=CC=CC=C2>>COC=1C=CC=2N(C1[Si](C)(C)C)N=C(C2CC2=C1COC(C1=CC=C2)=O)C2=CC=CC=C2
5
[CH3:1][CH:2]([O:4][C:5]1[C:6]2[CH:21]=[C:20]([O:22]CC3C=CC=CC=3)[CH:19]=[CH:18][C:7]=2[S:8][C:9]=1[C:10]([NH:12][C:13]1[NH:17][N:16]=[N:15][N:14]=1)=[O:11])[CH3:3]>[Pd].C(O)(=O)C>[CH3:3][CH:2]([O:4][C:5]1[C:6]2[CH:21]=[C:20]([OH:22])[CH:19]=[CH:18][C:7]=2[S:8][C:9]=1[C:10]([NH:12][C:13]1[NH:14][N:15]=[N:16][N:17]=1)=[...
1
ClC1=CC=C(C(C=O)=C1)O.BrC1=C(CP(OCC)(OCC)=O)C=CC=C1>>BrC1=C(C=CC=C1)\C=C\C1=C(C=CC(=C1)Cl)O
5
CS(=O)(=O)Cl.OCCC1(CCCC1)O>>CS(=O)(=O)OCCC1(CCCC1)O
5
NC=1C(=NC(=C[N+]1[O-])C=1C=NC(=CC1)OC)C#N>COCCOC.P(=O)(Cl)(Cl)Cl>NC=1C(=NC(=C(N1)Cl)C=1C=NC(=CC1)OC)C#N
3
C(C)(C)(C)C1=CC=C(C=C1)OC.ClC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl>[C]>C(C)(C)(C)C=1C=CC(=C(C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C1)OC
3
BrC=1C=C2C(=CC(=CC2=CC1)CO)OC1=NC=C(C=C1)S(=O)(=O)CC>>BrC1=CC=C2C=C(C=C(C2=C1)OC1=NC=C(C=C1)S(=O)(=O)CC)CCl
5
Br[C:2]1[CH:3]=[CH:4][C:5]([Cl:22])=[C:6]([CH:21]=1)[C:7]([NH:9][CH2:10][C:11]12[CH2:20][CH:15]3[CH2:16][CH:17]([CH2:19][CH:13]([CH2:14]3)[CH2:12]1)[CH2:18]2)=[O:8].[C:23]([O:27][CH3:28])(=[O:26])[CH:24]=[CH2:25].C(N(CC)CC)C.C1(C)C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C>CN(C)C=O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[Cl:22][C:5...
1
NC1(C2C=CC(C3C(=O)C4C(OC=3C3C=CC=CC=3)=C(C3C(C)=NN(C)C=3C)N=CC=4)=CC=2)CCC1.[N+:37]([C:39]1[CH:40]=[C:41]([C:45]2[N:46]=[CH:47][CH:48]=[C:49]3[C:54](=[O:55])[C:53]([C:56]4[CH:61]=[CH:60][C:59]([C:62]5([NH:66]C(=O)OC(C)(C)C)[CH2:65][CH2:64][CH2:63]5)=[CH:58][CH:57]=4)=[C:52]([C:74]4[CH:79]=[CH:78][CH:77]=[CH:76][CH:75]=...
1
C(=O)([O-])[O-].[K+].[K+].[C:7]([NH:12][C:13]1[CH:14]=[C:15]([CH:21]=[CH:22][C:23]=1[N+:24]([O-:26])=[O:25])[C:16]([O:18][CH2:19][CH3:20])=[O:17])(=[O:11])[CH2:8][CH2:9][CH3:10].[C:27]([C:29]1[CH:36]=[CH:35][CH:34]=[CH:33][C:30]=1[CH2:31]Br)#[N:28]>CN(C)C=O>[C:27]([C:29]1[CH:36]=[CH:35][CH:34]=[CH:33][C:30]=1[CH2:31][C...
1
ClC1=NC(=CC=C1)Cl.NC1=CC=CC2=CC3=CC=CC=C3C=C12>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>C1(=CC=CC2=CC3=CC=CC=C3C=C12)NC1=NC=CC=C1
3
N1=C(C=CC=C1)OCC1=CC=C(CC2=NOC(=C2)C=2C(=NC=CC2)N)C=C1>CO[H].C(C)(=O)OCC.Br>Br.N1=C(C=CC=C1)OCC1=CC=C(CC2=NOC(=C2)C=2C(=NC=CC2)N)C=C1
3
NC1=NC=CC=C1.COCN1C2=C(SC3=C1C=C(C=C3)C(=O)CBr)N=CC=N2>C1CCCO1.CCO[H].C(O)([O-])=O.[Na+]>N1=C(C=CC=C1)NCC(=O)C=1C=CC2=C(N(C3=C(S2)N=CC=N3)COC)C1
3
[Br:1][CH:2]1[CH:12]([Br:13])[CH2:11][CH2:10][CH:4]2[C:5]([NH:7][C:8](=[O:9])[CH:3]12)=[O:6].N1C=CC=CC=1.[Cl:20][C:21]1[C:29]([Cl:30])=[C:28]([Cl:31])[C:27]([Cl:32])=[CH:26][C:22]=1[C:23](Cl)=[O:24]>C1C=CC=CC=1>[Cl:20][C:21]1[C:29]([Cl:30])=[C:28]([Cl:31])[C:27]([Cl:32])=[CH:26][C:22]=1[C:23]([N:7]1[C:8](=[O:9])[CH:3]2...
1
Cl[C:2]1[NH:10][C:9]2[C:4](=[N:5][CH:6]=[CH:7][CH:8]=2)[C:3]=1[C:11]#[N:12].[CH3:13][N:14]1[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]1>>[CH3:13][N:14]1[CH2:19][CH2:18][N:17]([C:2]2[NH:10][C:9]3[C:4](=[N:5][CH:6]=[CH:7][CH:8]=3)[C:3]=2[C:11]#[N:12])[CH2:16][CH2:15]1
2
C(CCC)NC(C(C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)C(C)(C)C)OCC1=CC=CC=C1)C(C)C)NC(=O)OC(C)(C)C)O)=C)=O>CO[H].[HH].[Pd]C>C(CCC)NC([C@@H](C[C@@H]([C@H](C[C@H](CC1=CC(=C(C=C1)C(C)(C)C)O)C(C)C)NC(=O)OC(C)(C)C)O)C)=O
3
[CH2:1]([O:8][CH:9](O)[CH2:10][CH2:11][CH3:12])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH3:21][S:22](Cl)(=[O:24])=[O:23].C1C[O:29]CC1>>[CH3:21][S:22]([O:24][CH2:12][CH2:11][CH2:10][CH2:9][O:8][CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)(=[O:29])=[O:23]
1
Cl.[NH2:2][CH2:3][C:4]1[CH:28]=[CH:27][C:7]([CH2:8][O:9][C:10]2[CH:15]=[CH:14][C:13]([C:16](=[O:21])[CH2:17][CH:18]([CH3:20])[CH3:19])=[C:12]([OH:22])[C:11]=2[C:23]([F:26])([F:25])[F:24])=[CH:6][CH:5]=1.[CH3:29][N:30]1[CH:34]=[C:33]([C:35](O)=[O:36])[N:32]=[CH:31]1.O.ON1C2C=CC=CC=2N=N1.C(N(CC)CC)C.Cl.CN(C)CCCN=C=NCC>O1...
1
[NH:1]1[C:9]2[C:4](=[CH:5][C:6]([C:10]3[O:14][N:13]=[C:12]([NH2:15])[N:11]=3)=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.[OH-].[K+].[I:18]I.S([O-])([O-])(=O)=S.[Na+].[Na+]>CN(C=O)C>[I:18][C:3]1[C:4]2[C:9](=[CH:8][CH:7]=[C:6]([C:10]3[O:14][N:13]=[C:12]([NH2:15])[N:11]=3)[CH:5]=2)[NH:1][CH:2]=1
1
FC(C1=CC=C(C=C1)I)(F)F.BrC1=CC=C(C=C1)CCCC1=NNC(N1C1CC1)=O>[Cu]I.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.CN[C@H]1[C@@H](CCCC1)NC>BrC1=CC=C(C=C1)CCCC1=NN(C(N1C1CC1)=O)C1=CC=C(C=C1)C(F)(F)F
3
[CH2:1]([O:8][C:9]1[CH:18]=[CH:17][C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][C:10]=1Br)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[CH3:26]/[C:27](/B(O)O)=[CH:28]/[CH3:29].O>O1CCCC1>[CH2:1]([O:8][C:9]1[CH:18]=[CH:17][C:12]([C:13]([O:15][CH3:16])=[O:14])=[CH:11][C:10]=1/[C:27](/[CH3:26])=[CH:...
1
[CH3:1][C:2]1[CH:10]=[C:6]([C:7]([OH:9])=O)[C:5]([OH:11])=[CH:4][CH:3]=1.[CH3:12][C:13]([C:16]1[CH:22]=[CH:21][C:20]([C:23]([CH3:26])([CH3:25])[CH3:24])=[CH:19][C:17]=1[NH2:18])([CH3:15])[CH3:14]>>[CH3:15][C:13]([C:16]1[CH:22]=[CH:21][C:20]([C:23]([CH3:26])([CH3:25])[CH3:24])=[CH:19][C:17]=1[NH:18][C:7](=[O:9])[C:6]1[C...
1
C(C)(C)N(C(=O)N1C=NC2=C1C=C(C(=C2)C)C)C(C)C>>C(C)(C)(C)P(C1=NC2=C(N1C(=O)N(C(C)C)C(C)C)C=C(C(=C2)C)C)C(C)(C)C
5
Br[C:2]1[C:11]([O:12][CH3:13])=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][N:6]=[C:7]2[Cl:14].C([Li])CCC.C([O:23]B(OC(C)C)OC(C)C)(C)C.OO.[OH-].[Na+].S([O-])([O-])=O.[Na+].[Na+].Cl>O1CCCC1>[Cl:14][C:7]1[C:8]2[CH:9]=[CH:10][C:11]([O:12][CH3:13])=[C:2]([OH:23])[C:3]=2[CH:4]=[CH:5][N:6]=1
2
[CH3:1][C:2]1[NH:6][C:5]([C:7]2[CH:8]=[C:9]([CH3:13])[CH:10]=[CH:11][CH:12]=2)=[N:4][C:3]=1[CH2:14][OH:15]>[O-2].[O-2].[Mn+4].C(Cl)Cl>[CH3:1][C:2]1[NH:6][C:5]([C:7]2[CH:8]=[C:9]([CH3:13])[CH:10]=[CH:11][CH:12]=2)=[N:4][C:3]=1[CH:14]=[O:15]
1
COC1=C(OC2=NC=C(C(=O)N)C=C2)C=CC(=C1)CNCCC1CCOCC1>C1CCCO1.CO[H].O=S(=O)(O)C>CS(=O)(=O)O.COC1=C(OC2=NC=C(C(=O)N)C=C2)C=CC(=C1)CNCCC1CCOCC1
3
C([O:8][C:9]1[CH:14]=[C:13]([O:15]CC2C=CC=CC=2)[C:12]([C:23]2[N:27]([CH2:28][CH2:29][CH2:30][CH3:31])[N:26]=[N:25][N:24]=2)=[CH:11][C:10]=1[C:32]1[CH:37]=[CH:36][CH:35]=[C:34]([C:38](O)=[O:39])[CH:33]=1)C1C=CC=CC=1.[CH3:41][CH:42]([NH2:46])[CH2:43][O:44][CH3:45]>>[CH3:45][O:44][CH2:43][CH:42]([NH:46][C:38]([C:34]1[CH:3...
1
N1=C(C=CC=C1)C#CC=1C=CC(=NC1)C1=NOC(=N1)C(C)(C)N>>CNC(C)(C)C1=NC(=NO1)C1=NC=C(C=C1)C#CC1=NC=CC=C1
5
CC1=CC=C(C=C1)S(=O)(=O)OCC1OCCC1.OC1=CC(=C(C(=C1)C)C1=CC(=CC=C1)COC1=CC=C(C=C1)C1(COC1)CC(=O)OCC)C>>CC1=C(C(=CC(=C1)OCC1OCCC1)C)C1=CC(=CC=C1)COC1=CC=C(C=C1)C1(COC1)CC(=O)OCC
5
Cl[C:2]1[CH:3]=[C:4]([C:22]2[N:27]=[C:26]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[N:25]=[C:24]([C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=3)[N:23]=2)[CH:5]=[C:6]([C:8]2[C:9]3[C:14]([C:15]4[CH:16]=[CH:17][CH:18]=[CH:19][C:20]=4[CH:21]=2)=[CH:13][CH:12]=[CH:11][CH:10]=3)[CH:7]=1.[C:40]1(B(O)O)[C:49]2[C:44](=[CH...
1
C(OC)(=[O:3])C.Cl.[S:7]1[CH:11]=[CH:10][CH:9]=[C:8]1[CH2:12][CH2:13][NH:14][CH:15]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[Cl:24])[C:16]#[N:17].CO>>[ClH:24].[S:7]1[CH:11]=[CH:10][CH:9]=[C:8]1[CH2:12][CH2:13][NH:14][CH:15]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[Cl:24])[C:16]([NH2:17])=[O:3]
1
FC1=C(C(=NC(=C1[Si](C)(C)C)F)NC(OCC)=O)C#C[Si](C)(C)C>[Cu]I.N(C)(C)C=O>FC1=C2C(=NC(=C1[Si](C)(C)C)F)N(C=C2)C(=O)OCC
3
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([B:9]2[O:13][C:12]([CH3:15])([CH3:14])[C:11]([CH3:17])([CH3:16])[O:10]2)[CH:6]=[CH:5][C:4]=1[OH:18].[C:19]([N:26]1[CH2:31][CH2:30][CH:29](O)[CH2:28][CH2:27]1)([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1.CCOC(C...
1
NC(C(=O)OCC)=NO.OCC1(CC1)C(=O)O>ClCCl.CCN(CC)CC.n1nn(O)c2ccccc12.CCN=C=NCCCN(C)C>ON=C(C(=O)OCC)NC(=O)C1(CC1)CO
3
[CH:1]1([N:4]2[CH:8]=[C:7]([C:9]3[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=3)[N:6]=[CH:5]2)[CH2:3][CH2:2]1.C1C(=O)N([Br:23])C(=O)C1>C(Cl)Cl.O>[Br:23][C:8]1[N:4]([CH:1]2[CH2:3][CH2:2]2)[CH:5]=[N:6][C:7]=1[C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=1
2
NC(C(=O)NC1=CC(=CC=C1)C1=NC(CC2=CC(=C3C(=C12)CC(O3)(C)C)OCC)(C)C)(C)C>>CC1(C(N(C(N1)=O)C1=CC(=CC=C1)C1=NC(CC2=CC(=C3C(=C12)CC(O3)(C)C)OCC)(C)C)=O)C
5
[Cl-:1].[N+]([C:5]1[CH:10]=[C:9]([N+]([O-])=O)[CH:8]=[CH:7][C:6]=1[N+:14]1[CH:19]=[CH:18][C:17]([C:20]2[CH:25]=[CH:24][NH+:23]=[CH:22][CH:21]=2)=[CH:16][CH:15]=1)([O-])=O.[Cl-].[C:27](C1C=CC=CC=1N)([CH3:30])([CH3:29])[CH3:28]>O>[Cl-:1].[C:27]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[N+:14]1[CH:19]=[CH:18][C:17]([C:20]2...
2
O[CH2:2][CH2:3][O:4][C:5]1[C:10]([CH3:11])=[CH:9][C:8]([C:12]2[NH:21][C:20](=[O:22])[C:19]3[C:14](=[CH:15][CH:16]=[C:17]([O:23][CH3:24])[CH:18]=3)[N:13]=2)=[CH:7][C:6]=1[CH3:25].C(Br)(Br)(Br)[Br:27].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>CN(C)C=O>[Br:27][CH2:2][CH2:3][O:4][C:5]1[C:10]([CH3:11])=[CH:9][C:8]([C:12]2[NH:2...
1