← Browse datasets![[I:29][C:2]1[O:3][CH:4]=[C:5]([C:7]([O:9][CH2:10][CH3:11])=[O:8])[N:6]=1](/api/mol/svg?smiles=%5BI%3A29%5D%5BC%3A2%5D1%5BO%3A3%5D%5BCH%3A4%5D%3D%5BC%3A5%5D(%5BC%3A7%5D(%5BO%3A9%5D%5BCH2%3A10%5D%5BCH3%3A11%5D)%3D%5BO%3A8%5D)%5BN%3A6%5D%3D1&w=100&h=80)
![[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([C:2]2[O:3][CH:4]=[C:5]([C:7]([O:9][CH2:10][CH3:11])=[O:8])[N:6]=2)=[CH:15][C:14]=1[CH3:22]](/api/mol/svg?smiles=%5BCl%3A12%5D%5BC%3A13%5D1%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BC%3A16%5D(%5BC%3A2%5D2%5BO%3A3%5D%5BCH%3A4%5D%3D%5BC%3A5%5D(%5BC%3A7%5D(%5BO%3A9%5D%5BCH2%3A10%5D%5BCH3%3A11%5D)%3D%5BO%3A8%5D)%5BN%3A6%5D%3D2)%3D%5BCH%3A15%5D%5BC%3A14%5D%3D1%5BCH3%3A22%5D&w=100&h=80)
![[Cl:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[O:15][CH:16]=[C:17]([CH2:19][OH:20])[N:18]=2)=[CH:10][C:9]=1[CH3:24]](/api/mol/svg?smiles=%5BCl%3A7%5D%5BC%3A8%5D1%5BCH%3A13%5D%3D%5BCH%3A12%5D%5BC%3A11%5D(%5BC%3A14%5D2%5BO%3A15%5D%5BCH%3A16%5D%3D%5BC%3A17%5D(%5BCH2%3A19%5D%5BOH%3A20%5D)%5BN%3A18%5D%3D2)%3D%5BCH%3A10%5D%5BC%3A9%5D%3D1%5BCH3%3A24%5D&w=100&h=80)
![[Cl:18][CH2:13][C:11]1[N:12]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[C:3]([CH3:15])[CH:4]=2)[O:9][CH:10]=1](/api/mol/svg?smiles=%5BCl%3A18%5D%5BCH2%3A13%5D%5BC%3A11%5D1%5BN%3A12%5D%3D%5BC%3A8%5D(%5BC%3A5%5D2%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BC%3A3%5D(%5BCH3%3A15%5D)%5BCH%3A4%5D%3D2)%5BO%3A9%5D%5BCH%3A10%5D%3D1&w=100&h=80)
![[Cl:9][C:10]1[CH:17]=[CH:16][C:13]([C:14]2[O:6][C:3]([CH2:4][CH3:5])=[C:2]([CH3:1])[N+:7]=2[O-:8])=[CH:12][CH:11]=1](/api/mol/svg?smiles=%5BCl%3A9%5D%5BC%3A10%5D1%5BCH%3A17%5D%3D%5BCH%3A16%5D%5BC%3A13%5D(%5BC%3A14%5D2%5BO%3A6%5D%5BC%3A3%5D(%5BCH2%3A4%5D%5BCH3%3A5%5D)%3D%5BC%3A2%5D(%5BCH3%3A1%5D)%5BN%2B%3A7%5D%3D2%5BO-%3A8%5D)%3D%5BCH%3A12%5D%5BCH%3A11%5D%3D1&w=100&h=80)
![[Cl:19][CH2:14][C:11]1[N:12]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[O:9][C:10]=1[CH2:15][CH3:16]](/api/mol/svg?smiles=%5BCl%3A19%5D%5BCH2%3A14%5D%5BC%3A11%5D1%5BN%3A12%5D%3D%5BC%3A8%5D(%5BC%3A5%5D2%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D2)%5BO%3A9%5D%5BC%3A10%5D%3D1%5BCH2%3A15%5D%5BCH3%3A16%5D&w=100&h=80)
![[Cl:18][CH2:14][C:11]1[N:12]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[O:9][C:10]=1[CH3:15]](/api/mol/svg?smiles=%5BCl%3A18%5D%5BCH2%3A14%5D%5BC%3A11%5D1%5BN%3A12%5D%3D%5BC%3A8%5D(%5BC%3A5%5D2%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D2)%5BO%3A9%5D%5BC%3A10%5D%3D1%5BCH3%3A15%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]2[O:7][CH:12]=[N:11][C:14]=2[C:15]([O:17][CH3:18])=[O:16])=[CH:4][CH:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A5%5D(%5BC%3A6%5D2%5BO%3A7%5D%5BCH%3A12%5D%3D%5BN%3A11%5D%5BC%3A14%5D%3D2%5BC%3A15%5D(%5BO%3A17%5D%5BCH3%3A18%5D)%3D%5BO%3A16%5D)%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D1&w=100&h=80)
![[Cl:7][C:8]1[CH:9]=[CH:10][C:11]([C:14]2[O:18][CH:17]=[N:16][C:15]=2[CH2:19][OH:20])=[CH:12][CH:13]=1](/api/mol/svg?smiles=%5BCl%3A7%5D%5BC%3A8%5D1%5BCH%3A9%5D%3D%5BCH%3A10%5D%5BC%3A11%5D(%5BC%3A14%5D2%5BO%3A18%5D%5BCH%3A17%5D%3D%5BN%3A16%5D%5BC%3A15%5D%3D2%5BCH2%3A19%5D%5BOH%3A20%5D)%3D%5BCH%3A12%5D%5BCH%3A13%5D%3D1&w=100&h=80)
![[Cl:17][CH2:13][C:9]1[N:10]=[CH:11][O:12][C:8]=1[C:5]1[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=1](/api/mol/svg?smiles=%5BCl%3A17%5D%5BCH2%3A13%5D%5BC%3A9%5D1%5BN%3A10%5D%3D%5BCH%3A11%5D%5BO%3A12%5D%5BC%3A8%5D%3D1%5BC%3A5%5D1%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][CH:10]=[C:11]([CH2:13][O:14][CH2:17][O:18][CH3:19])[N:12]=2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BCH%3A10%5D%3D%5BC%3A11%5D(%5BCH2%3A13%5D%5BO%3A14%5D%5BCH2%3A17%5D%5BO%3A18%5D%5BCH3%3A19%5D)%5BN%3A12%5D%3D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][C:10]([CH:25]=[O:26])=[C:11]([CH2:13][O:14][CH2:15][O:16][CH3:17])[N:12]=2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A10%5D(%5BCH%3A25%5D%3D%5BO%3A26%5D)%3D%5BC%3A11%5D(%5BCH2%3A13%5D%5BO%3A14%5D%5BCH2%3A15%5D%5BO%3A16%5D%5BCH3%3A17%5D)%5BN%3A12%5D%3D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][C:10]([C:18]([OH:20])=[O:19])=[C:11]([CH2:13][O:14][CH2:15][O:16][CH3:17])[N:12]=2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A10%5D(%5BC%3A18%5D(%5BOH%3A20%5D)%3D%5BO%3A19%5D)%3D%5BC%3A11%5D(%5BCH2%3A13%5D%5BO%3A14%5D%5BCH2%3A15%5D%5BO%3A16%5D%5BCH3%3A17%5D)%5BN%3A12%5D%3D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([C:18]([O:20][CH3:21])=[O:19])=[C:11]([CH2:13][O:14][CH2:15][O:16][CH3:17])[N:12]=2)=[CH:4][CH:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A10%5D(%5BC%3A18%5D(%5BO%3A20%5D%5BCH3%3A21%5D)%3D%5BO%3A19%5D)%3D%5BC%3A11%5D(%5BCH2%3A13%5D%5BO%3A14%5D%5BCH2%3A15%5D%5BO%3A16%5D%5BCH3%3A17%5D)%5BN%3A12%5D%3D2)%3D%5BCH%3A4%5D%5BCH%3A3%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][C:10]([C:18]([O:20][CH3:21])=[O:19])=[C:11]([CH2:13][OH:14])[N:12]=2)=[CH:6][CH:7]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BC%3A5%5D(%5BC%3A8%5D2%5BO%3A9%5D%5BC%3A10%5D(%5BC%3A18%5D(%5BO%3A20%5D%5BCH3%3A21%5D)%3D%5BO%3A19%5D)%3D%5BC%3A11%5D(%5BCH2%3A13%5D%5BOH%3A14%5D)%5BN%3A12%5D%3D2)%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D1&w=100&h=80)
![[Cl:21][CH2:13][C:11]1[N:12]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[O:9][C:10]=1[C:15]([O:17][CH3:18])=[O:16]](/api/mol/svg?smiles=%5BCl%3A21%5D%5BCH2%3A13%5D%5BC%3A11%5D1%5BN%3A12%5D%3D%5BC%3A8%5D(%5BC%3A5%5D2%5BCH%3A6%5D%3D%5BCH%3A7%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D2)%5BO%3A9%5D%5BC%3A10%5D%3D1%5BC%3A15%5D(%5BO%3A17%5D%5BCH3%3A18%5D)%3D%5BO%3A16%5D&w=100&h=80)
![[NH2:1][C:2]1[C:7]([C:8]#[N:9])=[C:6]([C:10]2[CH:11]=[CH:12][C:13]([O:16][CH2:17][C@@H:18]([O:20][Si:21]([C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:22])[CH3:23])[CH3:19])=[CH:14][CH:15]=2)[C:5]([C:28]#[N:29])=[C:4]([S:30][CH2:32][C:33]2[N:34]=[C:35]([C:39]3[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=3)[O:36][C:37]=2[CH3:38])[N:3]=1](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BC%3A8%5D%23%5BN%3A9%5D)%3D%5BC%3A6%5D(%5BC%3A10%5D2%5BCH%3A11%5D%3D%5BCH%3A12%5D%5BC%3A13%5D(%5BO%3A16%5D%5BCH2%3A17%5D%5BC%40%40H%3A18%5D(%5BO%3A20%5D%5BSi%3A21%5D(%5BC%3A24%5D(%5BCH3%3A25%5D)(%5BCH3%3A26%5D)%5BCH3%3A27%5D)(%5BCH3%3A22%5D)%5BCH3%3A23%5D)%5BCH3%3A19%5D)%3D%5BCH%3A14%5D%5BCH%3A15%5D%3D2)%5BC%3A5%5D(%5BC%3A28%5D%23%5BN%3A29%5D)%3D%5BC%3A4%5D(%5BS%3A30%5D%5BCH2%3A32%5D%5BC%3A33%5D2%5BN%3A34%5D%3D%5BC%3A35%5D(%5BC%3A39%5D3%5BCH%3A44%5D%3D%5BCH%3A43%5D%5BC%3A42%5D(%5BF%3A45%5D)%3D%5BCH%3A41%5D%5BCH%3A40%5D%3D3)%5BO%3A36%5D%5BC%3A37%5D%3D2%5BCH3%3A38%5D)%5BN%3A3%5D%3D1&w=100&h=80)
![[NH2:21][C:22]1[C:27]([C:28]#[N:29])=[C:26]([C:30]2[CH:31]=[CH:32][C:33]([O:36][CH2:37][C@H:38]3[CH2:42][O:41][C:40]([CH3:44])([CH3:43])[O:39]3)=[CH:34][CH:35]=2)[C:25]([C:45]#[N:46])=[C:24]([O:20][CH2:19][C:17]2[N:18]=[C:14]([C:11]3[CH:10]=[CH:9][C:8]([Cl:7])=[CH:13][CH:12]=3)[O:15][CH:16]=2)[N:23]=1](/api/mol/svg?smiles=%5BNH2%3A21%5D%5BC%3A22%5D1%5BC%3A27%5D(%5BC%3A28%5D%23%5BN%3A29%5D)%3D%5BC%3A26%5D(%5BC%3A30%5D2%5BCH%3A31%5D%3D%5BCH%3A32%5D%5BC%3A33%5D(%5BO%3A36%5D%5BCH2%3A37%5D%5BC%40H%3A38%5D3%5BCH2%3A42%5D%5BO%3A41%5D%5BC%3A40%5D(%5BCH3%3A44%5D)(%5BCH3%3A43%5D)%5BO%3A39%5D3)%3D%5BCH%3A34%5D%5BCH%3A35%5D%3D2)%5BC%3A25%5D(%5BC%3A45%5D%23%5BN%3A46%5D)%3D%5BC%3A24%5D(%5BO%3A20%5D%5BCH2%3A19%5D%5BC%3A17%5D2%5BN%3A18%5D%3D%5BC%3A14%5D(%5BC%3A11%5D3%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A8%5D(%5BCl%3A7%5D)%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D3)%5BO%3A15%5D%5BCH%3A16%5D%3D2)%5BN%3A23%5D%3D1&w=100&h=80)
![[NH2:1][C:2]1[NH:3][C:4](=[O:29])[C:5]([C:20]#[N:21])=[C:6]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH2:17][CH2:18][OH:19])=[CH:12][CH:11]=2)[C:7]=1[C:8]#[N:9]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BNH%3A3%5D%5BC%3A4%5D(%3D%5BO%3A29%5D)%5BC%3A5%5D(%5BC%3A20%5D%23%5BN%3A21%5D)%3D%5BC%3A6%5D(%5BC%3A10%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A13%5D(%5BO%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BOH%3A19%5D)%3D%5BCH%3A12%5D%5BCH%3A11%5D%3D2)%5BC%3A7%5D%3D1%5BC%3A8%5D%23%5BN%3A9%5D&w=100&h=80)
![[Cl:45][C:2]1[C:7]([C:8]#[N:9])=[C:6]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH2:17][CH2:18][OH:19])=[C:12]([F:20])[CH:11]=2)[C:5]([C:21]#[N:22])=[C:4]([S:23][CH2:24][C:25]2[N:26]=[C:27]([C:30]3[CH:31]=[CH:32][C:33]([Cl:36])=[CH:34][CH:35]=3)[O:28][CH:29]=2)[N:3]=1](/api/mol/svg?smiles=%5BCl%3A45%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BC%3A8%5D%23%5BN%3A9%5D)%3D%5BC%3A6%5D(%5BC%3A10%5D2%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BC%3A13%5D(%5BO%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BOH%3A19%5D)%3D%5BC%3A12%5D(%5BF%3A20%5D)%5BCH%3A11%5D%3D2)%5BC%3A5%5D(%5BC%3A21%5D%23%5BN%3A22%5D)%3D%5BC%3A4%5D(%5BS%3A23%5D%5BCH2%3A24%5D%5BC%3A25%5D2%5BN%3A26%5D%3D%5BC%3A27%5D(%5BC%3A30%5D3%5BCH%3A31%5D%3D%5BCH%3A32%5D%5BC%3A33%5D(%5BCl%3A36%5D)%3D%5BCH%3A34%5D%5BCH%3A35%5D%3D3)%5BO%3A28%5D%5BCH%3A29%5D%3D2)%5BN%3A3%5D%3D1&w=100&h=80)
Dataset #134
Reaction #595338
DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1