Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C[C@@H](C1=CC=CC=C1)N.FC1=C(C=CC=C1)C1=NN(C2=NC(=CC(=C21)C(F)(F)F)OCC(=O)O)C>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.C(C)(C)N=C=NC(C)C>FC1=C(C=CC=C1)C1=NN(C2=NC(=CC(=C21)C(F)(F)F)OCC(=O)N[C@@H](C)C2=CC=CC=C2)C
3
OC1=C(C(=C2N(C(CN(S2(=O)=O)CCC)C(=O)OC)C1=O)C1=CC(=CC=C1)C(F)(F)F)CC1=CC=CC2=CC=CC=C12>O.C1CCCO1.O[Li].O>OC1=C(C(=C2N(C(CN(S2(=O)=O)CCC)C(=O)O)C1=O)C1=CC(=CC=C1)C(F)(F)F)CC1=CC=CC2=CC=CC=C12
3
NCC1=C(C2=C(N=C1CC)N(N=C2)CC)NC2CCOCC2.C1=C(C(=CC2=CC=CC=C12)C(=O)O)C(=O)O>>C(C)N1N=CC=2C1=NC(=C(C2NC2CCOCC2)CNC(=O)C=2C(=CC1=CC=CC=C1C2)C(=O)O)CC
5
ClC(=O)OC(C)Cl.Cl.C(C)(C)N(C(=O)C=1C(=CC2=C(N(C(C(O2)(C)C)=O)CCNC(CC)=O)C1)C(F)(F)F)[C@H]1CNCCC1>C(Cl)(Cl)(Cl)[H].CCN(CC)CC>CC1(OC2=C(N(C1=O)CCNC(CC)=O)C=C(C(=C2)C(F)(F)F)C(=O)N([C@H]2CN(CCC2)C(=O)OC(C)Cl)C(C)C)C
3
C[O:2][C:3](=[O:22])[CH2:4][CH2:5][NH:6][C:7](=[O:21])[C:8]1[CH:13]=[CH:12][C:11]([C:14](=O)[CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])=[CH:10][CH:9]=1.[CH3:23][O:24][C:25]1[CH:30]=[C:29]([NH2:31])[CH:28]=[CH:27][C:26]=1[C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>>[CH3:23][O:24][C:25]1[CH:30]=[C:29]([NH:31][CH:14]([C:...
1
ClCC(C)=O.BrC(C(=O)O)CCCCC>N(C)(C)C=O.CCN(CC)CC.Cl>BrC(C(=O)OCC(C)=O)CCCCC
3
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.ClC1=CC(=C(CCNC2=C(C=CC=C2)NC2CCN(CC2)C(=O)OCC2=CC=CC=C2)C=C1)F>O.C1CCCO1.c1ccncc1>ClC1=CC(=C(CCN2C(N(C3=C2C=CC=C3)C3CCN(CC3)C(=O)OCC3=CC=CC=C3)=O)C=C1)F
3
[C:1]([O:4][CH2:5][C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([N+:14]([O-:16])=[O:15])[CH:9]=1)=[O:7])(=[O:3])[CH3:2].[BH4-].[Na+].O>CO>[C:1]([O:4][CH2:5][CH:6]([OH:7])[C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([N+:14]([O-:16])=[O:15])[CH:9]=1)(=[O:3])[CH3:2]
1
[CH2:1]([C:4]1[N:8]([CH2:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]3[C:17]([C:22]([O:24]C(C)(C)C)=[O:23])=[CH:18][CH:19]=[CH:20][CH:21]=3)=[CH:12][CH:11]=2)[C:7]2[CH:29]=[C:30]([C:34]3[N:35]=[CH:36][N:37]([CH2:39][C:40]4[CH:45]=[CH:44][C:43]([F:46])=[CH:42][CH:41]=4)[CH:38]=3)[CH:31]=[C:32]([CH3:33])[C:6]=2[N:5]=1)[CH2:2][C...
1
C(C1=CC=CC=C1)OC(/C=C/B1OC(C(O1)(C)C)(C)C)CCCCC>>C(C1=CC=CC=C1)OC(/C=C/B(O)O)CCCCC
5
BrC1=CC=2C(N(C=CC2O1)C1=CC(=C(C=C1)[N+](=O)[O-])C)=O>[Fe].[Cl-].[NH4+].C(C)O.O>NC1=C(C=C(C=C1)N1C(C2=C(C=C1)OC(=C2)Br)=O)C
3
C(C)(C)(C)[Si](O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)NC2CCCCC2)(C)C>>C1(CCCCC1)NC(=O)N[C@@H]1[C@@H]2[C@H](OC1)[C@@H](CO2)O
5
NC1=NNC=C1.C1(=CC=CC=C1)C(C(=O)OCC)C(=O)OCC>C(CCC)N(CCCC)CCCC>C1(=CC=CC=C1)C=1C(=NC=2N(C1O)N=CC2)O
3
[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([C:11]1[CH:12]=[C:13]([OH:19])[C:14]([OH:18])=[CH:15][C:16]=1[CH3:17])(=[O:10])=[O:9].C(=O)([O-])[O-].[K+].[K+].Br[CH:27](Br)[C:28]([OH:30])=[O:29]>CN(C)C=O>[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([C:11]1[C:16]([CH3:17])=[CH:15][C:14]2[O:18][CH:27]([C:28](...
1
[C:1]([O:4][C@H:5]1[CH2:29][CH2:28][C@@:27]2([CH3:30])[C:7](=[C:8]([CH2:32]Cl)[CH2:9][C@@H:10]3[C@@H:26]2[CH2:25][CH2:24][C@@:23]2([CH3:31])[C@H:11]3[CH2:12][CH2:13][C@@H:14]2[C@H:15]([CH3:22])[CH2:16][CH2:17][CH2:18][CH:19]([CH3:21])[CH3:20])[CH2:6]1)(=[O:3])[CH3:2].[CH2:34]([NH:38][CH2:39][CH2:40][CH2:41][CH3:42])[CH...
1
[Br-].C[Mg+].O(C1=CC=CC=C1)C1=NC=C(C=N1)C1=CC=C(N=N1)C(=O)OCC>C1CCCO1.[Cl-].[NH4+]>O(C1=CC=CC=C1)C1=NC=C(C=N1)C1=CC=C(N=N1)C(C)(C)O
3
C(#N)C1(CC1)NC([C@@H](N[C@H](C(F)(F)F)C1=CC=C(C=C1)C1=CC=C(C=C1)SC)CC(C)(C)F)=O>C1(=CC=CC=C1)C.O(O[H])[H].ClCCl.S(=O)(=O)(O)[O-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(#N)C1(CC1)NC([C@@H](N[C@H](C(F)(F)F)C1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)C)CC(C)(C)F)=O
3
COC(C1=CN=CC=C1C1=CC=C(C=C1)F)=O>>COC(=O)C1CNCCC1C1=CC=C(C=C1)F
5
CN1CCNCC1.ClC1=NC(=NC(=C1)C(C)C)N>>C(C)(C)C1=NC(=NC(=C1)N1CCN(CC1)C)N
5
C(=O)NN.ClC=1N=NC(=C2C1C=NC=C2)C2=CC=C(C=C2)OC>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C.Cl.C(C)N(CC)CC>COC1=CC=C(C=C1)C=1C2=C(C=3N(N1)C=NN3)C=NC=C2
3
C(CC=C)O.C(C1=CC=CC=C1)(=O)O[C@H]1[C@H](OC2=NNC(=C2CC2=C(C=C(C=C2)Br)C)C(C)C)O[C@@H]([C@H]([C@@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O>>C(C1=CC=CC=C1)(=O)O[C@H]1[C@H](OC2=NNC(=C2CC2=C(C=C(C=C2)\C=C\CCO)C)C(C)C)O[C@@H]([C@H]([C@@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)COC(C1=CC=CC=C1)=O
5
CN(C)CCN(C)C.[Li]CCCC.[CH3:14][C:15]1[CH:20]=[CH:19][C:18]([SH:21])=[CH:17][CH:16]=1.CN([CH:25]=[O:26])C>C1CCCCC1>[CH3:14][C:15]1[CH:16]=[CH:17][C:18]([SH:21])=[C:19]([CH:20]=1)[CH:25]=[O:26]
1
C(C)(C)(C)OC(C[C@H](C(=O)O)CCCC1CCCCC1)=O.ONC(C)=N>>C1(CCCCC1)CCC[C@H](CC(=O)OC(C)(C)C)C1=NC(=NO1)C
5
C(C)(C)(C)OC(C(C)(C)O\N=C(/C(=O)N[C@H]1[C@H](N(C1=O)S(=O)(=O)O)CN1C(O[C@H](C1)CNC(=O)OC(C)(C)C)=O)\C=1N=C(SC1)NC(=O)OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC[C@H]1CN(C(O1)=O)C[C@H]1N(C([C@H]1NC(\C(\C=1N=C(SC1)N)=N/OC(C(=O)O)(C)C)=O)=O)S(=O)(=O)O
3
C[Si](C)(C)Cl.C1(=CC=CC=C1)C(O)([C@H]1NCCC1)C1=CC=CC=C1>c1cnc[nH]1.ClCCl.CCN(CC)CC>C1(=CC=CC=C1)C([C@H]1NCCC1)(O[Si](C)(C)C)C1=CC=CC=C1
3
C(C)(=O)OC1=CC(=C(CN2C(=NC=3C2=NC(=CC3C)C(=O)OC)C)C=C1)Cl>S(O)(O)(=O)=O.CO[H]>ClC1=C(CN2C(=NC=3C2=NC(=CC3C)C(=O)OC)C)C=CC(=C1)O
3
C1(=CC=CC=C1)C1=NSC(=N1)N1CCNCC1.O1N=C(C=2C1=NC=CC2)N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl>CS(=O)C.C(C)(C)N(C(C)C)CC>O1N=C(C=2C1=NC=CC2)NC(=O)N2CCN(CC2)C2=NC(=NS2)C2=CC=CC=C2
3
BrCCN1N=C(C=C1C(=O)OC)[N+](=O)[O-]>>BrCCN1N=C(C=C1CO)[N+](=O)[O-]
5
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][N:6]=[C:5]([N:9]2[CH2:16][CH:15]3[CH:11]([CH2:12][NH:13][CH2:14]3)[CH2:10]2)[N:4]=1.[CH2:17]([O:19][C:20]1[CH:28]=[CH:27][CH:26]=[CH:25][C:21]=1[C:22](O)=[O:23])[CH3:18]>>[CH2:17]([O:19][C:20]1[CH:28]=[CH:27][CH:26]=[CH:25][C:21]=1[C:22]([N:13]1[CH2:14][CH:15]2[CH:11]([CH2:10][N:9]([C:5]...
1
[CH3:1][O:2][CH2:3][CH2:4][NH:5][CH:6]1[CH2:12][CH2:11][C:10]2[CH:13]=[C:14]([NH2:17])[CH:15]=[CH:16][C:9]=2[CH2:8][CH2:7]1.Cl[C:19]1[N:24]=[C:23]([NH:25][C@@H:26]2[CH2:31][CH2:30][CH2:29][CH2:28][C@H:27]2[NH:32][S:33]([CH3:36])(=[O:35])=[O:34])[C:22]([Cl:37])=[CH:21][N:20]=1.[C:38](O)(C(F)(F)F)=[O:39]>>[Cl:37][C:22]1[...
1
[F:1][C:2]([F:28])([F:27])[C:3]1[CH:8]=[CH:7][C:6]([C:9]2[NH:10][C:11](=[O:26])[C:12]3[CH:17]=[CH:16][N:15]([CH2:18][O:19]CC[Si](C)(C)C)[C:13]=3[N:14]=2)=[CH:5][CH:4]=1.FC(F)(F)C(O)=O>C(Cl)Cl>[OH:19][CH2:18][N:15]1[C:13]2[N:14]=[C:9]([C:6]3[CH:5]=[CH:4][C:3]([C:2]([F:27])([F:28])[F:1])=[CH:8][CH:7]=3)[NH:10][C:11](=[O:...
1
[C:1]1([S:15]([OH:18])(=[O:17])=[O:16])[C:10]2[CH:9]=[CH:8][CH:7]=[C:6]([S:11]([OH:14])(=[O:13])=[O:12])[C:5]=2[CH:4]=[CH:3][CH:2]=1.[CH2:19]([CH:21]([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:22][N:23]1[CH2:28][C:27]([N+:30]([O-:32])=[O:31])([CH3:29])[CH2:26][N:25]([CH2:33][CH:34]([CH2:39][CH3:40])[CH2:35][CH2:36][CH2:37][...
1
C(C)(C)(C)OC(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(=O)C1=CNC2=CC(=CC=C12)C#N>>C(#N)C1=CC=C2C(=CNC2=C1)/C=C/C(=O)OC(C)(C)C
5
[H-].[Li+].[CH2:3]([C:5]1[N:6]=[C:7]([CH2:10][C:11]#[N:12])[S:8][CH:9]=1)[CH3:4].[Cl:13][C:14]1[N:19]=[C:18](Cl)[CH:17]=[CH:16][N:15]=1>C1COCC1>[Cl:13][C:14]1[N:19]=[C:18]([C:10](=[C:7]2[NH:6][C:5]([CH2:3][CH3:4])=[CH:9][S:8]2)[C:11]#[N:12])[CH:17]=[CH:16][N:15]=1
1
NC1=CC(=C(OC2=C(C(=NC=C2)N)I)C=C1)F.C1(CCCCC1)N1C(N(C=C(C1=O)C(=O)O)CC)=O>N(C)(C)C=O.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>NC1=NC=CC(=C1I)OC1=C(C=C(C=C1)NC(=O)C=1C(N(C(N(C1)CC)=O)C1CCCCC1)=O)F
3
NC(=S)N.BrCC(CC1CCCCC1)=O>CCO[H]>C1(CCCCC1)CC=1N=C(SC1)N
3
C(C1=CC=CC=C1)(=O)Cl.NCCC1CC(=C(C1=O)C1=C(C=C(C=C1C)C)C)OC>ClCCl.CCN(CC)CC>COC1=C(C(C(C1)CCNC(C1=CC=CC=C1)=O)=O)C1=C(C=C(C=C1C)C)C
3
[Br:1][C:2]1[C:10]([CH2:11][N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)=[CH:9][C:5]([C:6]([OH:8])=O)=[C:4]([O:18][CH2:19][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH:3]=1.C(N(C(C)C)CC)(C)C.[CH:35]1[CH:36]=C[C:38]2[N:43](O)N=[N:41][C:39]=2[CH:40]=1.NC1C=NC=CC=1.C(Cl)CCl>CN(C)C=O>[Br:1][C:2]1[C:10]([CH2:11][N:12...
1
FC1C(O[C:9](=[O:33])[CH2:10][C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][N:20]3[C:24](=[O:25])[C:23]4=[CH:26][CH:27]=[CH:28][CH:29]=[C:22]4[C:21]3=[O:30])=[C:13]([O:31][CH3:32])[CH:12]=2)=C(F)C(F)=C(F)C=1F.[CH:38]1([C:45]2[CH:46]=[C:47]([CH:49]=[CH:50][CH:51]=2)[NH2:48])[CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][C...
1
[CH:1](Cl)(Cl)Cl.C=CC[CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C@@H:22]1[O:26][C@H:25]([C@@H:27]2[O:32][O:31][C@H:30]([CH2:33][C:34]([OH:36])=[O:35])[CH2:29][CH2:28]2)[CH2:24][CH2:23]1>CO>[CH3:1][O:36][C:34]([CH2:33][C@H:30]1[O:31][O:32][C@H:27]([C@H...
1
[CH:1]([N:3]1[CH2:12][CH2:11][C:6]2([O:10][CH2:9][CH2:8][O:7]2)[CH2:5][CH:4]1[C:13]([O:15]C)=[O:14])=[O:2].[OH-].[K+].Cl>O1CCOCC1>[CH:1]([N:3]1[CH2:12][CH2:11][C:6]2([O:7][CH2:8][CH2:9][O:10]2)[CH2:5][CH:4]1[C:13]([OH:15])=[O:14])=[O:2]
1
[CH3:1][C:2]1[C:6]2[CH:7]=[CH:8][C:9]([CH3:11])=[CH:10][C:5]=2[O:4][C:3]=1[C:12]([OH:14])=O.C(N1C=CN=C1)(N1C=CN=C1)=O.[CH3:27][NH:28][O:29][CH3:30]>C(Cl)Cl>[CH3:27][N:28]([O:29][CH3:30])[C:12]([C:3]1[O:4][C:5]2[CH:10]=[C:9]([CH3:11])[CH:8]=[CH:7][C:6]=2[C:2]=1[CH3:1])=[O:14]
2
C(C1=CC=CC=C1)OC1=C(C=C(C2=C1CCO2)C([2H])([2H])C2=CC1=C(OCCO1)C=C2)[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)F)CO>CO[H].[HH].[OH-].[Pd+2].[OH-]>O1C2=C(OCC1)C=C(C=C2)C(C2=CC(=C(C=1CCOC12)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)F)CO)([2H])[2H]
3
OC1(CCNCC1)CN(C1=CC=C(C(=O)OC)C=C1)C.C(#N)C1=CC=C(OCC(=O)[O-])C=C1.[Li+]>>C(#N)C1=CC=C(OCC(=O)N2CCC(CC2)(O)CN(C2=CC=C(C(=O)OC)C=C2)C)C=C1
5
FC1=C(C(=O)O)C=C(C=C1)I>S(O)(O)(=O)=O.CCO[H]>FC1=C(C(=O)OCC)C=C(C=C1)I
3
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12].C([Li])(C)(C)C.CCCCC.[C:26](=[O:28])=[O:27]>O1CCCC1>[C:11]([O:10][C:9]([NH:8][C:3]1[C:2]([F:1])=[CH:7][CH:6]=[CH:5][C:4]=1[C:26]([OH:28])=[O:27])=[O:15])([CH3:12])([CH3:14])[CH3:13]
1
ClC1=CC(=NC(=N1)SC)C1=C(N=C2N1C=C(C=C2)F)C(F)(F)F>>ClC1=CC(=NC(=N1)S(=O)(=O)C)C1=C(N=C2N1C=C(C=C2)F)C(F)(F)F
5
COS(=O)(=O)OC.C(C)(C)(C)C1=C(C=CC=C1)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C)(C)(C)C1=C(C=CC=C1)OC
3
[Br-].[Br:2][CH2:3][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CC(C)([O-])C.[K+].[Cl:29][C:30]1[CH:37]=[CH:36][CH:35]=[C:34]([Cl:38])[C:31]=1[CH:32]=O>C1COCC1>[Br:2]/[CH:3]=[CH:32]/[C:31]1[C:30]([Cl:29])=[CH:37][CH:36]=[CH:35][C:34]=1[Cl:38]
2
C1(CCC(=O)O1)=O.C(=S)=S.C(C)(=O)NC1=CC=CC=C1>[Al](Cl)(Cl)Cl>C(C)(=O)NC1=CC=C(C=C1)C(CCC(=O)O)=O
3
C(C)(C)(C)OC(=O)NCC(=O)O.ClC=1C=C(C(=O)NN)C=CC1>>ClC=1C=C(C(=O)NNC(CNC(OC(C)(C)C)=O)=O)C=CC1
5
[CH3:1][N+:2](CC([O-])=O)(C)C.O[CH:10]([CH2:16][C:17](=[O:19])[O-:18])[CH2:11][N+](C)(C)C.OCC[N+](C)(C)C.P(OC[C@H]1[O:45][C@@H:44]([N:46]2C3N=CN=C(N)C=3N=C2)[C@H:43](O)[C@@H]1O)(OP(OP(O)(O)=O)(O)=O)(=O)O>>[C:44]([NH:46][C@H:16]([C:17]([OH:18])=[O:19])[CH2:10][CH2:11][CH2:1][NH2:2])(=[O:45])[CH3:43]
2
C(\C=C\C1=CC=CC=C1)=O>O.NN.CC(C)(C)O>C1(=CC=CC=C1)C1CC=NN1
3
C(C1=CC=CC=C1)OC1=CC(=C(C=C1)CC(=O)O)[N+](=O)[O-]>>C(C1=CC=CC=C1)OC1=CC(=C(C=C1)CCO)[N+](=O)[O-]
5
[NH2:1][C:2]([NH2:4])=[S:3].[CH2:5]([O:7][C:8]([C:10]1N=C(Br)N2[C:22]3[C:17](=[CH:18][C:19]([C:23]([F:26])([F:25])[F:24])=[CH:20][CH:21]=3)[N:16]([CH3:27])[C:15](=[O:28])[C:14]=12)=[O:9])[CH3:6]>>[CH2:5]([O:7][C:8]([C:10]1[N:1]=[C:2]([SH:3])[N:4]2[C:22]3[C:17](=[CH:18][C:19]([C:23]([F:25])([F:24])[F:26])=[CH:20][CH:21]...
1
CC1C=CC(S(O[CH2:12][CH2:13][NH:14][C:15]2[C:16](=[O:32])[N:17]([C:28]([CH3:31])([CH3:30])[CH3:29])[S:18](=[O:27])(=[O:26])[C:19]=2[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)(=O)=O)=CC=1.[CH3:33][S:34]([O:37][C:38]1[CH:43]=[CH:42][CH:41]=[CH:40][C:39]=1[OH:44])(=[O:36])=[O:35].C(=O)([O-])[O-].[K+].[K+]>CC#N>[CH3:33]...
1
NC1=NN=C(S1)S.C(C)OC=C(C(=O)OCC)C(=O)OCC>N(C)(C)C=O>C(C)OC(=O)C1=CN=C2N(C1=O)N=C(S2)S
3
N1=CC=C(C=C1)CC(=O)OCC.NC1=C(C=CC=C1)SSC1=C(C=CC=C1)N>N(C)(C)C=O.[H-].[Na+]>N1=CC=C(C=C1)C1C(NC2=C(S1)C=CC=C2)=O
3
NC=1C=C(CCO)C=CC1.C(C)(C)(C)OC(=O)NC(C)(C)C1=CC=C(C=C1)C1=NC(=NC=C1Cl)Cl>>NC(C)(C)C1=CC=C(C=C1)C1=NC(=NC=C1Cl)NC1=CC(=CC=C1)CCO
3
CI.COC1=CC=C(CN2CC(NC3=C(C2)C=C(C=C3)C(=O)OC)=O)C=C1>N(C)(C)C=O.[H-].[Na+]>COC1=CC=C(CN2CC(N(C3=C(C2)C=C(C=C3)C(=O)OC)C)=O)C=C1
3
[CH3:1][C:2]1([NH:7][CH2:8][C@@H:9]([C:11]2[CH:12]=[CH:13][C:14]3[N:15](N=N[N:19]=3)[CH:16]=2)[OH:10])[CH2:6][CH2:5][CH2:4][CH2:3]1.[ClH:20].[Cl:21][Sn]Cl>CO>[ClH:21].[ClH:20].[NH2:19][C:14]1[N:15]=[CH:16][C:11]([CH:9]([CH2:8][NH:7][C:2]2([CH3:1])[CH2:6][CH2:5][CH2:4][CH2:3]2)[OH:10])=[CH:12][CH:13]=1
1
CN1N=CC=2NCCC(C21)NC(OC(C)(C)C)=O.COC=1C(=NC=C(C(=O)O)C1)OC>N(C)(C)C=O.O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)OC(NC1C2=C(N(CC1)C(C1=CN=C(C(=C1)OC)OC)=O)C=NN2C)=O
3
CC(CC(C)=O)=O.ClC(C1=CC=CC=C1)=NO>CCN(CC)CC.CCO[H]>CC1=C(C(=NO1)C1=CC=CC=C1)C(C)=O
3
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]([O:12][CH3:13])=[O:11])[CH:5]=[CH:6][C:7]=1[Cl:8].[H-].[Na+].[CH2:16]([O:18][C:19]([N:21]1[C:30]2[C:25](=[CH:26][C:27]([C:31]([F:34])([F:33])[F:32])=[CH:28][CH:29]=2)[CH:24](Br)[CH2:23][C@H:22]1[CH2:36][CH3:37])=[O:20])[CH3:17].Cl.[OH-].[Na+]>CN(C)C=O.O1CCCC1.O>[CH2:16]([O:18][C:1...
2
C(OC([O:6][C:7]1[CH:22]=[CH:21][C:10]([CH:11]=[CH:12][C:13]([O:15][CH2:16][CH:17]=[C:18]([CH3:20])[CH3:19])=[O:14])=[CH:9][C:8]=1[O:23][CH3:24])=O)C.O.C(=O)([O-])[O-].[Na+].[Na+].Cl>CO>[OH:6][C:7]1[CH:22]=[CH:21][C:10]([CH:11]=[CH:12][C:13]([O:15][CH2:16][CH:17]=[C:18]([CH3:19])[CH3:20])=[O:14])=[CH:9][C:8]=1[O:23][CH3...
1
C(=O)(OC(C)(C)C)N[C@@H](C)C(=O)O.NC=1C(=NC=CC1)NC1=NC=C(C#N)C=C1>N(C)(C)C=O.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(#N)C=1C=CC(=NC1)NC1=NC=CC=C1NC([C@H](C)NC(OC(C)(C)C)=O)=O
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)O)=[CH:4][CH:3]=1.C(O)(=O)[CH2:23][C:24]([OH:26])=[O:25]>C(O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH...
1
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([CH2:17][CH2:18][CH2:19][CH2:20][CH:21]([OH:25])[C:22]([OH:24])=[O:23])[CH2:13][CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:26](O)[CH3:27].C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1.C(OCC)(=O)C>[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][CH:14]([CH2:17]...
1
[CH2:1]([N:3](CC)CC)C.[C:8]([C:10]1[CH:15]=[CH:14][C:13]([CH:16]2[N:21]([CH2:22][C:23]([OH:25])=O)[C:20](=[O:26])[N:19]([C:27]3[CH:32]=[CH:31][CH:30]=[C:29]([C:33]([F:36])([F:35])[F:34])[CH:28]=3)[C:18]3[CH2:37][CH2:38][N:39]([CH3:42])[C:40](=[O:41])[C:17]2=3)=[CH:12][CH:11]=1)#[N:9].F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+...
2
NC1=C(C(=O)N(C)C)C=C(C=N1)Br.CC1(OB(OC1(C)C)C1=CC(=NC=C1)NC(C)=O)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>C(C)(=O)NC1=NC=CC(=C1)C=1C=NC(=C(C1)C(=O)N(C)C)N
3
Cl.FC1=CC=C(C=C1)S(=O)(=O)CC1CNC1.FC1=C(C=CC(=C1)F)C1OC1>>FC1=C(C=CC(=C1)F)C(CN1CC(C1)CS(=O)(=O)C1=CC=C(C=C1)F)O
5
Cl[C:2]1[C:7]([C:8]([NH2:10])=[O:9])=[CH:6][N:5]=[C:4]([Cl:11])[CH:3]=1.[N:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[C:18]1[CH:19]=[C:20]([CH2:24][NH2:25])[CH:21]=[CH:22][CH:23]=1.CCN(C(C)C)C(C)C.O>CN1C(=O)CCC1>[Cl:11][C:4]1[CH:3]=[C:2]([NH:25][CH2:24][C:20]2[CH:21]=[CH:22][CH:23]=[C:18]([C:13]3[CH:14]=[CH:15][CH:16]=...
1
COC1=C(C=CC=C1)C1=CN(C2=NC=C(C=C21)B2OC(C(O2)(C)C)(C)C)S(=O)(=O)C2=CC=C(C=C2)C.CN(C(=O)C1=C(N=NC(=C1)Cl)N)C>CC#N.C1CCCO1.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1>CN(C(=O)C1=C(N=NC(=C1)C=1C=C2C(=NC1)N(C=C2C2=C(C=CC=C2)OC)S(=O)(=O)C2=CC=C(C=C2)C)N)C
3
C(C)(C)(C)OC(NC[C@@H]1CC[C@H](CC1)CC(NNC=1N=C2C(=NC1)N(C=C2)S(=O)(=O)C2=CC=C(C)C=C2)=O)=O>ClS(Cl)=O.CCN(CC)CC.O1CCOCC1>C(C)(C)(C)OC(NC[C@@H]1CC[C@H](CC1)CC1=NN=C2N1C1=C(N=C2)NC=C1)=O
3
[O:1]1[CH2:5][CH2:4][O:3][CH:2]1[C:6]1[S:7][CH:8]=[CH:9][N:10]=1.CCCCCC.C([Li])CCC.[CH3:22][O:23][CH2:24][C:25](OC)=[O:26].O>O1CCCC1>[O:1]1[CH2:5][CH2:4][O:3][CH:2]1[C:6]1[S:7][C:8]([C:25](=[O:26])[CH2:24][O:23][CH3:22])=[CH:9][N:10]=1
1
[CH3:1][O:2][C:3]1[C:4](=[O:37])[C:5]([CH3:36])=[C:6]([CH2:12][C:13]2[CH:14]=[CH:15][C:16]([O:32]C(=O)C)=[C:17]([CH:31]=2)[C:18]([NH:20][C:21]2[CH:26]=[CH:25][C:24]([O:27][CH3:28])=[C:23]([O:29][CH3:30])[CH:22]=2)=[O:19])[C:7](=[O:11])[C:8]=1[O:9][CH3:10].C(=O)([O-])O.[Na+]>CO.O>[CH3:1][O:2][C:3]1[C:4](=[O:37])[C:5]([C...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:19](=O)[CH3:20])=[CH:10][C:11]3[O:17][CH2:16][CH2:15][CH2:14][O:13][C:12]=3[CH:18]=2)=[CH:4][CH:3]=1.C([O:24][C:25]([C:27]1[CH:50]=[CH:49][C:30]2[N:31]([CH:43]3[CH2:48][CH2:47][CH2:46][CH2:45][CH2:44]3)[C:32]([C:34]3[CH:39]=[CH:38][C:37]([NH2:40])=[C:36]([CH:41]=O)[CH:35]=3...
1
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:26]=[C:27]([O:29][CH2:30][C:31]2[N:32]=[C:33]([C:36]3[CH:41]=[N:40][CH:39]=[CH:38][N:37]=3)[S:34][CH:35]=2)[CH:28]=1)[CH2:7][N:8]1[CH:12]=[C:11]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:10]([CH2:19][CH2:20][C:21]([O:23]CC)=[O:22])=[CH:9]1)[CH3:2].[OH-].[Na+].O1CCCC1.Cl>C(O)C...
1
CC1(OB(OC1(C)C)C=1C=C2C=3N(C(=NC3C1)C1=CC=C3C(=N1)SC(=N3)NC(OC(C)(C)C)=O)CCCCO2)C>O(O[H])[H].O.C(C)(=O)O.S([O-])(O)=O.[Na+]>OC=1C=C2C=3N(C(=NC3C1)C1=CC=C3C(=N1)SC(=N3)NC(OC(C)(C)C)=O)CCCCO2
3
[Na].Cl.[Cl:3][C:4]1[CH:5]=[C:6]([NH:11][NH2:12])[CH:7]=[CH:8][C:9]=1[Cl:10].[CH2:13]([O:15][C:16](=[CH2:19])[C:17]#[N:18])[CH3:14].Cl.[OH-].[Na+:22]>C(O)C.O>[O-:15][CH2:13][CH3:14].[Na+:22].[Cl:3][C:4]1[CH:5]=[C:6]([N:11]2[CH:19]=[CH:16][C:17]([NH2:18])=[N:12]2)[CH:7]=[CH:8][C:9]=1[Cl:10]
1
[F:1][C:2]1[CH:3]=[C:4]([CH:9]([F:13])[C:10]([OH:12])=O)[CH:5]=[C:6]([F:8])[CH:7]=1.[NH2:14][C@H:15]([C:17]([NH:19][CH:20]1[N:26]=[C:25]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:24]2[CH:33]=[CH:34][CH:35]=[CH:36][C:23]=2[N:22]([CH3:37])[C:21]1=[O:38])=[O:18])[CH3:16]>>[F:8][C:6]1[CH:5]=[C:4]([CH:9]([F:13])[C:1...
1
C(C)(C)(C)OC(NC(C(F)F)(CO)C1=CC(=CC=C1)Br)=O>>Cl.NC(CO)(C(F)F)C1=CC(=CC=C1)Br
5
C(CC(O)(C(=O)[O-])CC(=O)[O-])(=O)[O-].[Na+].[Na+].[Na+].O=C1C(C(CC1OC1OCCCC1)C=CC(CCCCC)=O)CCCCCCC(=O)O>CO[H].CC(=O)C.OC(=O)CC(O)(CC(O)=O)C(O)=O.[BH4-].[K+]>OC1C(C(CC1OC1OCCCC1)C=CC(CCCCC)O)CCCCCCC(=O)O
3
C(C)(C)(C)OC(=O)N1CC2=CC(=CC=C2C(C1)(C)C)N.C(C)N1N(C2=NC(=NC=C2C1=O)SC)C1=CC=CC(=N1)C1(CC1)C#N>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].ClC=1C=C(C(=O)OO)C=CC1>C(#N)C1(CC1)C1=CC=CC(=N1)N1N(C(C=2C1=NC(=NC2)NC2=CC=C1C(CN(CC1=C2)C(=O)OC(C)(C)C)(C)C)=O)CC
3
C(C1=CC=CC=C1)(=O)CC(=O)OCC.BrCC(=O)CBr>>C(C)OC(C(CC(CCC1=CC=CC=C1)=O)C(C1=CC=CC=C1)=O)=O
5
[CH:1]([O:4][C:5]1[CH:6]=[CH:7][N:8]=[C:9]2[C:14]=1[N:13]=[C:12]([CH3:15])[CH:11]=[CH:10]2)([CH3:3])[CH3:2].[O:16]1CCOCC1>>[CH:1]([O:4][C:5]1[CH:6]=[CH:7][N:8]=[C:9]2[C:14]=1[N:13]=[C:12]([CH:15]=[O:16])[CH:11]=[CH:10]2)([CH3:3])[CH3:2]
1
C1COC2(CCC(CC2)=O)O1>C1(=CC=CC=C1)C.C1CCNC1.C1(=CC=C(C=C1)S(=O)(=O)O)C>O1CCOC12CC=C(CC2)N2CCCC2
3
[CH3:1][C@@H:2]1[C@:19]([OH:21])([CH3:20])[C@:18]([OH:23])([CH3:22])[C:16](=[O:17])[O:15][CH2:14][C:11]2=[CH:12][CH2:13][N:9]3[C@H:10]2[C@@H:6]([CH2:7][CH2:8]3)[O:5][C:3]1=[O:4].C1(Cl)C(Cl)=C(Cl)C(=O)C(=O)C=1Cl>C(Cl)(Cl)Cl>[CH3:1][C@@H:2]1[C@:19]([OH:21])([CH3:20])[C@:18]([OH:23])([CH3:22])[C:16](=[O:17])[O:15][CH2:14]...
1
BrC1=CN(C2=NC=CC(=C21)OC2=C(C=C(C=C2)N)F)COCC[Si](C)(C)C.FC1=C(C(=O)O)C(=CC=C1)OC>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.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>BrC1=CN(C2=NC=CC(=C21)OC2=C(C=C(C=C2)NC(C2=C(C=CC=C2OC)F)=O)F)COCC[Si](C)(C)C
3
[CH2:1]([NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:15][C:16]1[CH:21]=[CH:20][C:19]([P:22](Cl)(Cl)=[O:23])=[CH:18][CH:17]=1>>[CH3:15][C:16]1[CH:21]=[CH:20][C:19]([P:22]2(=[O:23])[C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[CH2:1][N:8]2[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11]...
1
[Br-].C[Mg+].CC1=C(C(NC=C1)=O)C(=O)OC>C1CCCO1.[Cl-].[NH4+]>OC(C)(C)C=1C(NC=CC1C)=O
3
CN.COC1=NC(=CC(=N1)C=1C=C(C=CC1)S(=O)(=O)Cl)NCCC1=CC=C(C=C1)OC>>COC1=NC(=CC(=N1)C=1C=C(C=CC1)S(=O)(=O)NC)NCCC1=CC=C(C=C1)OC
5
[NH:1]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[C@H:2]([C:11](O)=[O:12])[CH2:3][C:4](=[O:10])[O:5][C:6]([CH3:9])([CH3:8])[CH3:7].CC(OC(OC(OC(C)(C)C)=O)=O)(C)C.C(=O)(O)[O-].[NH4+].C[N:42](C)C=O>C1(C)C=CC=CC=1.O.N1C=CC=CC=1>[NH2:42][C:11](=[O:12])[C@@H:2]([NH:1][C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:...
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[C:8]([CH:15]1[CH2:20]CC(C)C[CH2:16]1)[N:7]=[C:6]2[N:22]1[CH2:27][CH2:26][N:25]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[O:34][CH3:35])[CH2:24][CH2:23]1.[CH3:36]C(C)(C)C(O)=O>>[C:15]([C:8]1[N:7]=[C:6]([N:22]2[CH2:27][CH2:26][N:25]([C:28]3[C...
2
[N+:1]([C:4]1[O:19][C:7]([CH:8]=[C:9]2[N:13]=[C:12]3[CH:14]=[CH:15][CH:16]=[C:17]([NH2:18])[C:11]3=[N:10]2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[CH:20]1(N=C=O)[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]1.C[N:30](C)[CH:31]=[O:32]>CC(CC)=O>[CH:20]1([N:13]2[C:12]3[CH:14]=[CH:15][C:16]([C:31](=[O:32])[NH2:30])=[C:17]([NH2:18])[C:11...
1
BrC=1C=C2CCC(OC2=C(C1)Cl)(C)C>N(C)(C)C=O.C1CCCO1.C(CCC)[Li]>ClC=1C=C(C=C2CCC(OC12)(C)C)C=O
3
C(C)(=O)C1=C(OCC(C(F)(F)F)=O)C(=CC(=C1)F)Br>C(C)(=O)OC(C)=O.C(C)(=O)[O-].[Na+].C(O)([O-])=O.[Na+]>BrC1=CC(=CC=2C(=C(OC21)C(C(F)(F)F)=O)C)F
3
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([C:11]#[N:12])=[CH:8][CH:9]=2)[CH:4]=[C:3]1[C:13]([F:16])([F:15])[F:14].N>CO.[Ni]>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([CH2:11][NH2:12])=[CH:8][CH:9]=2)[CH:4]=[C:3]1[C:13]([F:14])([F:15])[F:16]
2
[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10](Cl)(=[O:12])=[O:11])([O-:3])=[O:2].[CH:14]([NH2:27])([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.Cl>C(Cl)Cl.O.C(N(CC)CC)C>[N+:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[S:10]([NH:27][CH:14]([C:15]1[CH:20]=[CH:19][CH:1...
1
[Cl:1][C:2]1[C:10]([OH:11])=[C:9]2[C:5]([CH:6]=[CH:7][C:8]2=O)=[CH:4][CH:3]=1>O.Cl.[Zn]>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[CH2:6][CH2:7][CH2:8][C:9]=2[C:10]=1[OH:11]
1