← Browse datasets![[Br:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[C:5]([O:10][CH3:11])=[CH:4][C:3]=1[CH2:12][CH2:13][N:14]1[C:18](=[O:19])[C:17]2=[CH:21][CH:22]=[CH:23][CH:24]=[C:16]2[C:15]1=[O:25]](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BC%3A6%5D(%5BO%3A8%5D%5BCH3%3A9%5D)%5BC%3A5%5D(%5BO%3A10%5D%5BCH3%3A11%5D)%3D%5BCH%3A4%5D%5BC%3A3%5D%3D1%5BCH2%3A12%5D%5BCH2%3A13%5D%5BN%3A14%5D1%5BC%3A18%5D(%3D%5BO%3A19%5D)%5BC%3A17%5D2%3D%5BCH%3A21%5D%5BCH%3A22%5D%3D%5BCH%3A23%5D%5BCH%3A24%5D%3D%5BC%3A16%5D2%5BC%3A15%5D1%3D%5BO%3A25%5D&w=100&h=80)
![[F-:1]](/api/mol/svg?smiles=%5BF-%3A1%5D&w=100&h=80)
![[OH:12][C:5]1[CH:6]=[CH:7][CH:8]=[C:9]2[C:4]=1[N:3]=[C:2]([CH:1]=[N:32][OH:33])[CH:11]=[CH:10]2](/api/mol/svg?smiles=%5BOH%3A12%5D%5BC%3A5%5D1%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D%5BC%3A9%5D2%5BC%3A4%5D%3D1%5BN%3A3%5D%3D%5BC%3A2%5D(%5BCH%3A1%5D%3D%5BN%3A32%5D%5BOH%3A33%5D)%5BCH%3A11%5D%3D%5BCH%3A10%5D2&w=100&h=80)
![[NH2:13][CH2:12][C:9]1[CH:8]=[CH:7][C:6]2[C:11](=[C:2]([OH:1])[CH:3]=[CH:4][CH:5]=2)[N:10]=1](/api/mol/svg?smiles=%5BNH2%3A13%5D%5BCH2%3A12%5D%5BC%3A9%5D1%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BC%3A6%5D2%5BC%3A11%5D(%3D%5BC%3A2%5D(%5BOH%3A1%5D)%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BCH%3A5%5D%3D2)%5BN%3A10%5D%3D1&w=100&h=80)
![[NH:33]1[CH:32]=[C:31]([CH2:30][CH2:29][NH:28][CH2:26][C:23]2[CH:22]=[CH:21][C:20]3[C:25](=[C:16]([OH:15])[CH:17]=[CH:18][CH:19]=3)[N:24]=2)[N:35]=[CH:34]1](/api/mol/svg?smiles=%5BNH%3A33%5D1%5BCH%3A32%5D%3D%5BC%3A31%5D(%5BCH2%3A30%5D%5BCH2%3A29%5D%5BNH%3A28%5D%5BCH2%3A26%5D%5BC%3A23%5D2%5BCH%3A22%5D%3D%5BCH%3A21%5D%5BC%3A20%5D3%5BC%3A25%5D(%3D%5BC%3A16%5D(%5BOH%3A15%5D)%5BCH%3A17%5D%3D%5BCH%3A18%5D%5BCH%3A19%5D%3D3)%5BN%3A24%5D%3D2)%5BN%3A35%5D%3D%5BCH%3A34%5D1&w=100&h=80)
![[N:13]1([C:2]2[CH:11]=[CH:10][C:9]3[C:4](=[C:5]([OH:12])[CH:6]=[CH:7][CH:8]=3)[N:3]=2)[CH:17]=[CH:16][CH:15]=[N:14]1](/api/mol/svg?smiles=%5BN%3A13%5D1(%5BC%3A2%5D2%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BC%3A9%5D3%5BC%3A4%5D(%3D%5BC%3A5%5D(%5BOH%3A12%5D)%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D3)%5BN%3A3%5D%3D2)%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BCH%3A15%5D%3D%5BN%3A14%5D1&w=100&h=80)
![[Cl:5][C:6]1[CH:15]=[C:14]([I:16])[C:13]([O:17][CH:2]([CH3:4])[CH3:3])=[C:12]2[C:7]=1[CH:8]=[CH:9][CH:10]=[N:11]2](/api/mol/svg?smiles=%5BCl%3A5%5D%5BC%3A6%5D1%5BCH%3A15%5D%3D%5BC%3A14%5D(%5BI%3A16%5D)%5BC%3A13%5D(%5BO%3A17%5D%5BCH%3A2%5D(%5BCH3%3A4%5D)%5BCH3%3A3%5D)%3D%5BC%3A12%5D2%5BC%3A7%5D%3D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D%5BN%3A11%5D2&w=100&h=80)
![[Br:1][C:2]1[CH:11]=[C:10]([Br:12])[C:9]([O:13][CH:15]([CH3:17])[CH3:16])=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[N:7]2](/api/mol/svg?smiles=%5BBr%3A1%5D%5BC%3A2%5D1%5BCH%3A11%5D%3D%5BC%3A10%5D(%5BBr%3A12%5D)%5BC%3A9%5D(%5BO%3A13%5D%5BCH%3A15%5D(%5BCH3%3A17%5D)%5BCH3%3A16%5D)%3D%5BC%3A8%5D2%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BCH%3A6%5D%3D%5BN%3A7%5D2&w=100&h=80)
![[C:17]1([C:2]2[CH:11]=[C:10]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[C:9]([OH:13])=[C:8]3[C:3]=2[CH:4]=[CH:5][CH:6]=[N:7]3)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1](/api/mol/svg?smiles=%5BC%3A17%5D1(%5BC%3A2%5D2%5BCH%3A11%5D%3D%5BC%3A10%5D(%5BC%3A35%5D3%5BCH%3A40%5D%3D%5BCH%3A39%5D%5BCH%3A38%5D%3D%5BCH%3A37%5D%5BCH%3A36%5D%3D3)%5BC%3A9%5D(%5BOH%3A13%5D)%3D%5BC%3A8%5D3%5BC%3A3%5D%3D2%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BCH%3A6%5D%3D%5BN%3A7%5D3)%5BCH%3A22%5D%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BCH%3A18%5D%3D1&w=100&h=80)
![[I:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[C:5]([O:12][CH:14]([CH3:16])[CH3:15])[CH:6]=[CH:7][CH:8]=2)[N:3]=1](/api/mol/svg?smiles=%5BI%3A1%5D%5BC%3A2%5D1%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BC%3A9%5D2%5BC%3A4%5D(%3D%5BC%3A5%5D(%5BO%3A12%5D%5BCH%3A14%5D(%5BCH3%3A16%5D)%5BCH3%3A15%5D)%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D2)%5BN%3A3%5D%3D1&w=100&h=80)
![[N:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[C:5]([O:12][CH:13]([CH3:15])[CH3:14])[CH:6]=[CH:7][CH:8]=2)[N:3]=1](/api/mol/svg?smiles=%5BN%3A17%5D1%5BCH%3A22%5D%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BC%3A18%5D%3D1%5BC%3A2%5D1%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BC%3A9%5D2%5BC%3A4%5D(%3D%5BC%3A5%5D(%5BO%3A12%5D%5BCH%3A13%5D(%5BCH3%3A15%5D)%5BCH3%3A14%5D)%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D2)%5BN%3A3%5D%3D1&w=100&h=80)
![[Cl:12][C:8]1[CH:7]=[C:6]([Cl:13])[C:5]([OH:14])=[C:4]2[C:9]=1[CH:10]=[CH:11][C:2]([NH:16][CH3:15])=[N:3]2](/api/mol/svg?smiles=%5BCl%3A12%5D%5BC%3A8%5D1%5BCH%3A7%5D%3D%5BC%3A6%5D(%5BCl%3A13%5D)%5BC%3A5%5D(%5BOH%3A14%5D)%3D%5BC%3A4%5D2%5BC%3A9%5D%3D1%5BCH%3A10%5D%3D%5BCH%3A11%5D%5BC%3A2%5D(%5BNH%3A16%5D%5BCH3%3A15%5D)%3D%5BN%3A3%5D2&w=100&h=80)
![[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[C:9]([O:13][CH:23]([CH3:25])[CH3:24])=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([NH:14][CH3:15])=[N:7]2](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A11%5D%3D%5BC%3A10%5D(%5BCl%3A12%5D)%5BC%3A9%5D(%5BO%3A13%5D%5BCH%3A23%5D(%5BCH3%3A25%5D)%5BCH3%3A24%5D)%3D%5BC%3A8%5D2%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BC%3A6%5D(%5BNH%3A14%5D%5BCH3%3A15%5D)%3D%5BN%3A7%5D2&w=100&h=80)
![[Cl:5][C:6]1[CH:15]=[C:14]([Cl:16])[C:13]([OH:17])=[C:12]2[C:7]=1[CH:8]=[CH:9][C:10]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=1)=[N:11]2](/api/mol/svg?smiles=%5BCl%3A5%5D%5BC%3A6%5D1%5BCH%3A15%5D%3D%5BC%3A14%5D(%5BCl%3A16%5D)%5BC%3A13%5D(%5BOH%3A17%5D)%3D%5BC%3A12%5D2%5BC%3A7%5D%3D1%5BCH%3A8%5D%3D%5BCH%3A9%5D%5BC%3A10%5D(%5BC%3A21%5D1%5BCH%3A26%5D%3D%5BCH%3A25%5D%5BCH%3A24%5D%3D%5BCH%3A23%5D%5BN%3A22%5D%3D1)%3D%5BN%3A11%5D2&w=100&h=80)
![[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[C:9]([OH:13])=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([CH:14]=[O:16])=[N:7]2](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A11%5D%3D%5BC%3A10%5D(%5BCl%3A12%5D)%5BC%3A9%5D(%5BOH%3A13%5D)%3D%5BC%3A8%5D2%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BC%3A6%5D(%5BCH%3A14%5D%3D%5BO%3A16%5D)%3D%5BN%3A7%5D2&w=100&h=80)
![[ClH:8]](/api/mol/svg?smiles=%5BClH%3A8%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:11]=[C:10]([Cl:12])[C:9]([OH:13])=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([C:21]([OH:23])=[O:22])=[N:7]2](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A11%5D%3D%5BC%3A10%5D(%5BCl%3A12%5D)%5BC%3A9%5D(%5BOH%3A13%5D)%3D%5BC%3A8%5D2%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BC%3A6%5D(%5BC%3A21%5D(%5BOH%3A23%5D)%3D%5BO%3A22%5D)%3D%5BN%3A7%5D2&w=100&h=80)
![[NH:50]1[CH:49]=[C:48]([CH2:47][CH2:46][NH:45][C:14]([C:6]2[CH:5]=[CH:4][C:3]3[C:8](=[C:9]([OH:13])[C:10]([Cl:12])=[CH:11][C:2]=3[Cl:1])[N:7]=2)=[O:16])[N:52]=[CH:51]1](/api/mol/svg?smiles=%5BNH%3A50%5D1%5BCH%3A49%5D%3D%5BC%3A48%5D(%5BCH2%3A47%5D%5BCH2%3A46%5D%5BNH%3A45%5D%5BC%3A14%5D(%5BC%3A6%5D2%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BC%3A3%5D3%5BC%3A8%5D(%3D%5BC%3A9%5D(%5BOH%3A13%5D)%5BC%3A10%5D(%5BCl%3A12%5D)%3D%5BCH%3A11%5D%5BC%3A2%5D%3D3%5BCl%3A1%5D)%5BN%3A7%5D%3D2)%3D%5BO%3A16%5D)%5BN%3A52%5D%3D%5BCH%3A51%5D1&w=100&h=80)
![[Cl:1][C:2]1[C:11]([OH:12])=[C:10]2[C:5]([CH:6]=[CH:7][CH:8]=[N:9]2)=[C:4]([C:16]2[CH:17]=[N:18][CH:19]=[CH:20][CH:21]=2)[CH:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BC%3A11%5D(%5BOH%3A12%5D)%3D%5BC%3A10%5D2%5BC%3A5%5D(%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BCH%3A8%5D%3D%5BN%3A9%5D2)%3D%5BC%3A4%5D(%5BC%3A16%5D2%5BCH%3A17%5D%3D%5BN%3A18%5D%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BCH%3A21%5D%3D2)%5BCH%3A3%5D%3D1&w=100&h=80)
=[C:13]([Cl:22])[CH:12]=[C:24]([Cl:27])[C:10]=2[O:17][CH3:18])=[O:5])[CH3:2]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BO%3A3%5D%5BC%3A4%5D(%5BC%3A6%5D1%5BCH%3A7%5D%3D%5BN%3A8%5D%5BC%3A9%5D2%5BC%3A14%5D(%5BC%3A15%5D%3D1%5BCl%3A16%5D)%3D%5BC%3A13%5D(%5BCl%3A22%5D)%5BCH%3A12%5D%3D%5BC%3A24%5D(%5BCl%3A27%5D)%5BC%3A10%5D%3D2%5BO%3A17%5D%5BCH3%3A18%5D)%3D%5BO%3A5%5D)%5BCH3%3A2%5D&w=100&h=80)
Dataset #159
Reaction #710579
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710580
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710581
Yield 80.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710582
Yield 82.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710583
Yield 61.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710584
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710585
Yield 93.3%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710586
Yield 97.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710587
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710588
Yield 84.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710589
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710590
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710591
Yield 78.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710592
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710593
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710594
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710595
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710596
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710597
Yield 94.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #710598
Yield 29.0%DOI: 10.6084/m9.figshare.5104873.v1