← Browse datasets![[I-:13]](/api/mol/svg?smiles=%5BI-%3A13%5D&w=100&h=80)
![[Br-:13]](/api/mol/svg?smiles=%5BBr-%3A13%5D&w=100&h=80)
([O-:4])([O-:3])=[O:2]](/api/mol/svg?smiles=%5BP%3A1%5D(%5BO-%3A5%5D)(%5BO-%3A4%5D)(%5BO-%3A3%5D)%3D%5BO%3A2%5D&w=100&h=80)
([O-:4])([O-:1])=[O:3]](/api/mol/svg?smiles=%5BP%3A2%5D(%5BO-%3A14%5D)(%5BO-%3A4%5D)(%5BO-%3A1%5D)%3D%5BO%3A3%5D&w=100&h=80)
([O-:6])([O-:5])=[O:4]](/api/mol/svg?smiles=%5BP%3A3%5D(%5BO-%3A7%5D)(%5BO-%3A6%5D)(%5BO-%3A5%5D)%3D%5BO%3A4%5D&w=100&h=80)
([O-:21])([O-:20])=[O:19]](/api/mol/svg?smiles=%5BP%3A18%5D(%5BO-%3A22%5D)(%5BO-%3A21%5D)(%5BO-%3A20%5D)%3D%5BO%3A19%5D&w=100&h=80)
([O-:7])([O-:6])=[O:5]](/api/mol/svg?smiles=%5BP%3A4%5D(%5BO-%3A8%5D)(%5BO-%3A7%5D)(%5BO-%3A6%5D)%3D%5BO%3A5%5D&w=100&h=80)
([O-:4])([O-:1])=[O:3]](/api/mol/svg?smiles=%5BP%3A2%5D(%5BO-%3A5%5D)(%5BO-%3A4%5D)(%5BO-%3A1%5D)%3D%5BO%3A3%5D&w=100&h=80)
![[NH:12]1[C:11]([NH:10][C:2]2[N:3]=[N:4][C:5]([NH:10][C:11]3[NH:15][N:14]=[N:13][N:12]=3)=[N:6][N:7]=2)=[N:15][N:14]=[N:13]1](/api/mol/svg?smiles=%5BNH%3A12%5D1%5BC%3A11%5D(%5BNH%3A10%5D%5BC%3A2%5D2%5BN%3A3%5D%3D%5BN%3A4%5D%5BC%3A5%5D(%5BNH%3A10%5D%5BC%3A11%5D3%5BNH%3A15%5D%5BN%3A14%5D%3D%5BN%3A13%5D%5BN%3A12%5D%3D3)%3D%5BN%3A6%5D%5BN%3A7%5D%3D2)%3D%5BN%3A15%5D%5BN%3A14%5D%3D%5BN%3A13%5D1&w=100&h=80)
(=[O:10])[CH:2]=[CH:3][C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=1](/api/mol/svg?smiles=%5BC%3A1%5D(%5BO-%3A11%5D)(%3D%5BO%3A10%5D)%5BCH%3A2%5D%3D%5BCH%3A3%5D%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D%5BCH%3A8%5D%5BCH%3A9%5D%3D1&w=100&h=80)
![[O:5]=[C:6]1[O:12][C@H:11]([C@H:13]([CH2:15][OH:16])[OH:14])[C:9]([O-:10])=[C:7]1[OH:8]](/api/mol/svg?smiles=%5BO%3A5%5D%3D%5BC%3A6%5D1%5BO%3A12%5D%5BC%40H%3A11%5D(%5BC%40H%3A13%5D(%5BCH2%3A15%5D%5BOH%3A16%5D)%5BOH%3A14%5D)%5BC%3A9%5D(%5BO-%3A10%5D)%3D%5BC%3A7%5D1%5BOH%3A8%5D&w=100&h=80)
![[Cr:2]](/api/mol/svg?smiles=%5BCr%3A2%5D&w=100&h=80)
=[O:13])[CH2:10][SH:11])(=[O:7])[CH3:6]](/api/mol/svg?smiles=%5BC%3A5%5D(%5BNH%3A8%5D%5BC%40H%3A9%5D(%5BC%3A12%5D(%5BOH%3A14%5D)%3D%5BO%3A13%5D)%5BCH2%3A10%5D%5BSH%3A11%5D)(%3D%5BO%3A7%5D)%5BCH3%3A6%5D&w=100&h=80)
![[CH3:14][C:15]([CH3:18])=[CH:16][CH2:1][CH2:2]/[C:3](/[CH3:5])=[CH:8]/[CH2:9][CH2:14]/[C:15](/[CH3:18])=[CH:16]/[CH2:1][CH2:9]/[CH:8]=[C:3](\[CH3:5])/[CH2:2][CH2:1]/[CH:16]=[C:15](\[CH3:18])/[CH2:14][CH2:9][CH:8]=[C:3]([CH3:5])[CH3:2]](/api/mol/svg?smiles=%5BCH3%3A14%5D%5BC%3A15%5D(%5BCH3%3A18%5D)%3D%5BCH%3A16%5D%5BCH2%3A1%5D%5BCH2%3A2%5D%2F%5BC%3A3%5D(%2F%5BCH3%3A5%5D)%3D%5BCH%3A8%5D%2F%5BCH2%3A9%5D%5BCH2%3A14%5D%2F%5BC%3A15%5D(%2F%5BCH3%3A18%5D)%3D%5BCH%3A16%5D%2F%5BCH2%3A1%5D%5BCH2%3A9%5D%2F%5BCH%3A8%5D%3D%5BC%3A3%5D(%5C%5BCH3%3A5%5D)%2F%5BCH2%3A2%5D%5BCH2%3A1%5D%2F%5BCH%3A16%5D%3D%5BC%3A15%5D(%5C%5BCH3%3A18%5D)%2F%5BCH2%3A14%5D%5BCH2%3A9%5D%5BCH%3A8%5D%3D%5BC%3A3%5D(%5BCH3%3A5%5D)%5BCH3%3A2%5D&w=100&h=80)
![[CH:2]1[CH:1]=[CH:6][C:5]([C:7]([OH:9])=[O:8])=[C:4]([C:10]2[C:11]3[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][C:12]=3[O:18][C:19]3[C:20]=2[CH:21]=[CH:22][C:23]([CH:24]=3)=[O:25])[CH:3]=1](/api/mol/svg?smiles=%5BCH%3A2%5D1%5BCH%3A1%5D%3D%5BCH%3A6%5D%5BC%3A5%5D(%5BC%3A7%5D(%5BOH%3A9%5D)%3D%5BO%3A8%5D)%3D%5BC%3A4%5D(%5BC%3A10%5D2%5BC%3A11%5D3%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BC%3A14%5D(%5BOH%3A17%5D)%3D%5BCH%3A13%5D%5BC%3A12%5D%3D3%5BO%3A18%5D%5BC%3A19%5D3%5BC%3A20%5D%3D2%5BCH%3A21%5D%3D%5BCH%3A22%5D%5BC%3A23%5D(%5BCH%3A24%5D%3D3)%3D%5BO%3A25%5D)%5BCH%3A3%5D%3D1&w=100&h=80)
([CH3:9])[Cl:11])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BSi%3A10%5D(%5BCH3%3A12%5D)(%5BCH3%3A9%5D)%5BCl%3A11%5D)%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH3%3A8%5D&w=100&h=80)
([C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1)[C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1)[C@H:8]([C:9]([NH:11][CH2:12][C:13]([OH:15])=[O:14])=[O:10])[CH2:7][C:4]1[CH:5]=[CH:6][CH:1]=[CH:2][CH:3]=1](/api/mol/svg?smiles=%5BNH%3A16%5D(%5BC%3A17%5D(%5BC%3A18%5D1%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BCH%3A21%5D%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D1)(%5BC%3A30%5D1%5BCH%3A31%5D%3D%5BCH%3A32%5D%5BCH%3A33%5D%3D%5BCH%3A34%5D%5BCH%3A35%5D%3D1)%5BC%3A24%5D1%5BCH%3A25%5D%3D%5BCH%3A26%5D%5BCH%3A27%5D%3D%5BCH%3A28%5D%5BCH%3A29%5D%3D1)%5BC%40H%3A8%5D(%5BC%3A9%5D(%5BNH%3A11%5D%5BCH2%3A12%5D%5BC%3A13%5D(%5BOH%3A15%5D)%3D%5BO%3A14%5D)%3D%5BO%3A10%5D)%5BCH2%3A7%5D%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BCH%3A1%5D%3D%5BCH%3A2%5D%5BCH%3A3%5D%3D1&w=100&h=80)
([C:30]1[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=1)[C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1)[CH2:15][C:13]([NH:12][C@H:8]([C:9]([OH:11])=[O:10])[CH2:7][C:4]1[CH:5]=[CH:6][CH:1]=[CH:2][CH:3]=1)=[O:14]](/api/mol/svg?smiles=%5BNH%3A16%5D(%5BC%3A17%5D(%5BC%3A18%5D1%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BCH%3A21%5D%3D%5BCH%3A20%5D%5BCH%3A19%5D%3D1)(%5BC%3A30%5D1%5BCH%3A31%5D%3D%5BCH%3A32%5D%5BCH%3A33%5D%3D%5BCH%3A34%5D%5BCH%3A35%5D%3D1)%5BC%3A24%5D1%5BCH%3A25%5D%3D%5BCH%3A26%5D%5BCH%3A27%5D%3D%5BCH%3A28%5D%5BCH%3A29%5D%3D1)%5BCH2%3A15%5D%5BC%3A13%5D(%5BNH%3A12%5D%5BC%40H%3A8%5D(%5BC%3A9%5D(%5BOH%3A11%5D)%3D%5BO%3A10%5D)%5BCH2%3A7%5D%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BCH%3A1%5D%3D%5BCH%3A2%5D%5BCH%3A3%5D%3D1)%3D%5BO%3A14%5D&w=100&h=80)
([C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:2][C:3]([NH:5][CH2:6][C:7]([NH:52][C@H:53]([C:61]([NH:63][CH2:64][C:65]([O:67][C:68]([C:69]1[CH:70]=[CH:71][CH:72]=[CH:73][CH:74]=1)=[O:29])=[O:66])=[O:62])[CH2:54][C:55]1[CH:56]=[CH:57][CH:58]=[CH:59][CH:60]=1)=[O:8])=[O:4]](/api/mol/svg?smiles=%5BNH%3A1%5D(%5BC%3A10%5D(%5BC%3A23%5D1%5BCH%3A28%5D%3D%5BCH%3A27%5D%5BCH%3A26%5D%3D%5BCH%3A25%5D%5BCH%3A24%5D%3D1)(%5BC%3A17%5D1%5BCH%3A18%5D%3D%5BCH%3A19%5D%5BCH%3A20%5D%3D%5BCH%3A21%5D%5BCH%3A22%5D%3D1)%5BC%3A11%5D1%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D1)%5BCH2%3A2%5D%5BC%3A3%5D(%5BNH%3A5%5D%5BCH2%3A6%5D%5BC%3A7%5D(%5BNH%3A52%5D%5BC%40H%3A53%5D(%5BC%3A61%5D(%5BNH%3A63%5D%5BCH2%3A64%5D%5BC%3A65%5D(%5BO%3A67%5D%5BC%3A68%5D(%5BC%3A69%5D1%5BCH%3A70%5D%3D%5BCH%3A71%5D%5BCH%3A72%5D%3D%5BCH%3A73%5D%5BCH%3A74%5D%3D1)%3D%5BO%3A29%5D)%3D%5BO%3A66%5D)%3D%5BO%3A62%5D)%5BCH2%3A54%5D%5BC%3A55%5D1%5BCH%3A56%5D%3D%5BCH%3A57%5D%5BCH%3A58%5D%3D%5BCH%3A59%5D%5BCH%3A60%5D%3D1)%3D%5BO%3A8%5D)%3D%5BO%3A4%5D&w=100&h=80)
=[O:46])[CH2:41][C:42]([NH:9][CH2:8][C:58]([NH:56][C@H:2]([C:3]([OH:5])=[O:4])[CH2:15][C:34]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:35]=1)=[O:59])=[O:44]](/api/mol/svg?smiles=%5BNH%3A40%5D(%5BC%3A45%5D(%5BO%3A47%5D%5BCH2%3A48%5D%5BC%3A49%5D1%5BCH%3A54%5D%3D%5BCH%3A53%5D%5BCH%3A52%5D%3D%5BCH%3A51%5D%5BCH%3A50%5D%3D1)%3D%5BO%3A46%5D)%5BCH2%3A41%5D%5BC%3A42%5D(%5BNH%3A9%5D%5BCH2%3A8%5D%5BC%3A58%5D(%5BNH%3A56%5D%5BC%40H%3A2%5D(%5BC%3A3%5D(%5BOH%3A5%5D)%3D%5BO%3A4%5D)%5BCH2%3A15%5D%5BC%3A34%5D1%5BCH%3A33%5D%3D%5BCH%3A32%5D%5BCH%3A31%5D%3D%5BCH%3A30%5D%5BCH%3A35%5D%3D1)%3D%5BO%3A59%5D)%3D%5BO%3A44%5D&w=100&h=80)
Dataset #227
Reaction #1076738
Yield 83.5%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076739
Yield 71.2%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076740
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076741
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076742
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076743
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076744
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076745
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076746
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076747
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076748
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076749
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076750
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076751
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076752
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076753
Yield 88.0%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076754
Yield 64.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076755
Yield 64.6%DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076756
DOI: 10.6084/m9.figshare.5104873.v1
Reaction #1076757
DOI: 10.6084/m9.figshare.5104873.v1
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