← 浏览数据集[NH:20][C:19]=1[CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)(=[O:3])[CH3:1]](/api/mol/svg?smiles=%5BC%3A2%5D(%5BC%3A27%5D1%5BC%3A26%5D2%5BC%3A21%5D(%3D%5BCH%3A22%5D%5BCH%3A23%5D%3D%5BCH%3A24%5D%5BCH%3A25%5D%3D2)%5BNH%3A20%5D%5BC%3A19%5D%3D1%5BCH2%3A12%5D%5BC%3A13%5D1%5BCH%3A18%5D%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D%5BCH%3A15%5D%5BCH%3A14%5D%3D1)(%3D%5BO%3A3%5D)%5BCH3%3A1%5D&w=100&h=80)
![[CH3:15][O:11][C:10]([C:6]1[CH:5]=[C:4]2[C:9](=[CH:8][CH:7]=1)[NH:1][CH:2]=[CH:3]2)=[O:12]](/api/mol/svg?smiles=%5BCH3%3A15%5D%5BO%3A11%5D%5BC%3A10%5D(%5BC%3A6%5D1%5BCH%3A5%5D%3D%5BC%3A4%5D2%5BC%3A9%5D(%3D%5BCH%3A8%5D%5BCH%3A7%5D%3D1)%5BNH%3A1%5D%5BCH%3A2%5D%3D%5BCH%3A3%5D2)%3D%5BO%3A12%5D&w=100&h=80)
![[CH3:12][O:13][C:14]([C:16]1[CH:17]=[C:18]2[C:22](=[CH:23][CH:24]=1)[N:21]([S:25]([C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)(=[O:26])=[O:27])[CH:20]=[C:19]2[C:5](=[O:7])[CH3:6])=[O:15]](/api/mol/svg?smiles=%5BCH3%3A12%5D%5BO%3A13%5D%5BC%3A14%5D(%5BC%3A16%5D1%5BCH%3A17%5D%3D%5BC%3A18%5D2%5BC%3A22%5D(%3D%5BCH%3A23%5D%5BCH%3A24%5D%3D1)%5BN%3A21%5D(%5BS%3A25%5D(%5BC%3A28%5D1%5BCH%3A33%5D%3D%5BCH%3A32%5D%5BCH%3A31%5D%3D%5BCH%3A30%5D%5BCH%3A29%5D%3D1)(%3D%5BO%3A26%5D)%3D%5BO%3A27%5D)%5BCH%3A20%5D%3D%5BC%3A19%5D2%5BC%3A5%5D(%3D%5BO%3A7%5D)%5BCH3%3A6%5D)%3D%5BO%3A15%5D&w=100&h=80)
[CH:11]=2)[N:6]([CH2:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[CH:5]=1)(=[O:3])[CH3:2]](/api/mol/svg?smiles=%5BC%3A1%5D(%5BC%3A4%5D1%5BC%3A12%5D2%5BC%3A7%5D(%3D%5BCH%3A8%5D%5BCH%3A9%5D%3D%5BC%3A10%5D(%5BCl%3A13%5D)%5BCH%3A11%5D%3D2)%5BN%3A6%5D(%5BCH2%3A33%5D%5BCH2%3A34%5D%5BC%3A35%5D2%5BCH%3A40%5D%3D%5BCH%3A39%5D%5BCH%3A38%5D%3D%5BCH%3A37%5D%5BCH%3A36%5D%3D2)%5BCH%3A5%5D%3D1)(%3D%5BO%3A3%5D)%5BCH3%3A2%5D&w=100&h=80)
[CH2:13][Cl:12])=[CH:18][CH:19]=2)[N:23]([C:26](=[O:31])[C:27]([CH3:28])([CH3:30])[CH3:29])[CH:22]=1)(=[O:7])[CH3:6]](/api/mol/svg?smiles=%5BC%3A5%5D(%5BC%3A21%5D1%5BC%3A20%5D2%5BC%3A24%5D(%3D%5BCH%3A25%5D%5BC%3A17%5D(%5BO%3A16%5D%5BC%3A14%5D(%3D%5BO%3A15%5D)%5BCH2%3A13%5D%5BCl%3A12%5D)%3D%5BCH%3A18%5D%5BCH%3A19%5D%3D2)%5BN%3A23%5D(%5BC%3A26%5D(%3D%5BO%3A31%5D)%5BC%3A27%5D(%5BCH3%3A28%5D)(%5BCH3%3A30%5D)%5BCH3%3A29%5D)%5BCH%3A22%5D%3D1)(%3D%5BO%3A7%5D)%5BCH3%3A6%5D&w=100&h=80)
[CH:10]=2)[NH:14][CH:13]=1)(=[O:20])[CH3:18]](/api/mol/svg?smiles=%5BC%3A19%5D(%5BC%3A12%5D1%5BC%3A11%5D2%5BC%3A15%5D(%3D%5BCH%3A16%5D%5BCH%3A17%5D%3D%5BC%3A9%5D(%5BO%3A8%5D%5BCH2%3A1%5D%5BC%3A2%5D3%5BCH%3A3%5D%3D%5BCH%3A4%5D%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BCH%3A7%5D%3D3)%5BCH%3A10%5D%3D2)%5BNH%3A14%5D%5BCH%3A13%5D%3D1)(%3D%5BO%3A20%5D)%5BCH3%3A18%5D&w=100&h=80)
[CH:14]=2)[N:10]([S:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)(=[O:9])=[O:8])[C:11]=1[CH3:20])(=[O:23])[CH3:21]](/api/mol/svg?smiles=%5BC%3A22%5D(%5BC%3A12%5D1%5BC%3A13%5D2%5BC%3A18%5D(%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D%5BC%3A15%5D(%5BCl%3A19%5D)%5BCH%3A14%5D%3D2)%5BN%3A10%5D(%5BS%3A7%5D(%5BC%3A1%5D2%5BCH%3A2%5D%3D%5BCH%3A3%5D%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BCH%3A6%5D%3D2)(%3D%5BO%3A9%5D)%3D%5BO%3A8%5D)%5BC%3A11%5D%3D1%5BCH3%3A20%5D)(%3D%5BO%3A23%5D)%5BCH3%3A21%5D&w=100&h=80)
[C:3]([OH:5])=[CH:13][C:12]([C:15]1[C:23]2[C:18](=[CH:19][CH:20]=[C:21]([Cl:24])[CH:22]=2)[NH:17][CH:16]=1)=[O:14])[CH3:11]](/api/mol/svg?smiles=%5BCH2%3A10%5D(%5BO%3A9%5D%5BC%3A2%5D(%3D%5BO%3A8%5D)%5BC%3A3%5D(%5BOH%3A5%5D)%3D%5BCH%3A13%5D%5BC%3A12%5D(%5BC%3A15%5D1%5BC%3A23%5D2%5BC%3A18%5D(%3D%5BCH%3A19%5D%5BCH%3A20%5D%3D%5BC%3A21%5D(%5BCl%3A24%5D)%5BCH%3A22%5D%3D2)%5BNH%3A17%5D%5BCH%3A16%5D%3D1)%3D%5BO%3A14%5D)%5BCH3%3A11%5D&w=100&h=80)
[C:7]([OH:21])=[CH:8][C:9]([C:11]1[C:19]2[C:14](=[CH:15][CH:16]=[C:17]([Cl:20])[CH:18]=2)[N:13]([S:29]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)(=[O:31])=[O:30])[CH:12]=1)=[O:10])[CH3:4]](/api/mol/svg?smiles=%5BCH2%3A3%5D(%5BO%3A5%5D%5BC%3A6%5D(%3D%5BO%3A22%5D)%5BC%3A7%5D(%5BOH%3A21%5D)%3D%5BCH%3A8%5D%5BC%3A9%5D(%5BC%3A11%5D1%5BC%3A19%5D2%5BC%3A14%5D(%3D%5BCH%3A15%5D%5BCH%3A16%5D%3D%5BC%3A17%5D(%5BCl%3A20%5D)%5BCH%3A18%5D%3D2)%5BN%3A13%5D(%5BS%3A29%5D(%5BC%3A23%5D2%5BCH%3A28%5D%3D%5BCH%3A27%5D%5BCH%3A26%5D%3D%5BCH%3A25%5D%5BCH%3A24%5D%3D2)(%3D%5BO%3A31%5D)%3D%5BO%3A30%5D)%5BCH%3A12%5D%3D1)%3D%5BO%3A10%5D)%5BCH3%3A4%5D&w=100&h=80)
=[CH:10][CH:9]=3)[C:5]([C:22](=[O:29])[CH:23]=[C:24]([OH:28])[C:25]([OH:27])=[O:26])=[CH:6]2)=[CH:17][CH:16]=1)([OH:20])=[O:19]](/api/mol/svg?smiles=%5BC%3A18%5D(%5BC%3A15%5D1%5BCH%3A14%5D%3D%5BCH%3A13%5D%5BC%3A12%5D(%5BCH2%3A11%5D%5BN%3A7%5D2%5BC%3A8%5D3%5BC%3A4%5D(%3D%5BCH%3A3%5D%5BC%3A2%5D(%5BCl%3A1%5D)%3D%5BCH%3A10%5D%5BCH%3A9%5D%3D3)%5BC%3A5%5D(%5BC%3A22%5D(%3D%5BO%3A29%5D)%5BCH%3A23%5D%3D%5BC%3A24%5D(%5BOH%3A28%5D)%5BC%3A25%5D(%5BOH%3A27%5D)%3D%5BO%3A26%5D)%3D%5BCH%3A6%5D2)%3D%5BCH%3A17%5D%5BCH%3A16%5D%3D1)(%5BOH%3A20%5D)%3D%5BO%3A19%5D&w=100&h=80)
[C:5]([NH:26][CH3:25])=[CH:6][C:7]([C:9]1[C:17]2[C:12](=[CH:13][CH:14]=[C:15]([Cl:18])[CH:16]=2)[NH:11][CH:10]=1)=[O:8])[CH3:2]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BO%3A3%5D%5BC%3A4%5D(%3D%5BO%3A20%5D)%5BC%3A5%5D(%5BNH%3A26%5D%5BCH3%3A25%5D)%3D%5BCH%3A6%5D%5BC%3A7%5D(%5BC%3A9%5D1%5BC%3A17%5D2%5BC%3A12%5D(%3D%5BCH%3A13%5D%5BCH%3A14%5D%3D%5BC%3A15%5D(%5BCl%3A18%5D)%5BCH%3A16%5D%3D2)%5BNH%3A11%5D%5BCH%3A10%5D%3D1)%3D%5BO%3A8%5D)%5BCH3%3A2%5D&w=100&h=80)
![[Cl:18][C:15]1[CH:16]=[C:17]2[C:12](=[CH:13][CH:14]=1)[NH:11][CH:10]=[C:9]2[C:7](=[O:8])[CH:6]=[C:5]([NH:19][CH3:20])[C:4]([OH:21])=[O:3]](/api/mol/svg?smiles=%5BCl%3A18%5D%5BC%3A15%5D1%5BCH%3A16%5D%3D%5BC%3A17%5D2%5BC%3A12%5D(%3D%5BCH%3A13%5D%5BCH%3A14%5D%3D1)%5BNH%3A11%5D%5BCH%3A10%5D%3D%5BC%3A9%5D2%5BC%3A7%5D(%3D%5BO%3A8%5D)%5BCH%3A6%5D%3D%5BC%3A5%5D(%5BNH%3A19%5D%5BCH3%3A20%5D)%5BC%3A4%5D(%5BOH%3A21%5D)%3D%5BO%3A3%5D&w=100&h=80)
![[C:1]1([CH:7]([O:14][C:15](=[O:31])[C:16]([OH:30])=[CH:17][C:18]([C:20]2[C:28]3[C:23](=[CH:24][CH:25]=[C:26]([Cl:29])[CH:27]=3)[N:22]([C:36](=[O:37])[N:35]([CH3:39])[CH3:34])[CH:21]=2)=[O:19])[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1](/api/mol/svg?smiles=%5BC%3A1%5D1(%5BCH%3A7%5D(%5BO%3A14%5D%5BC%3A15%5D(%3D%5BO%3A31%5D)%5BC%3A16%5D(%5BOH%3A30%5D)%3D%5BCH%3A17%5D%5BC%3A18%5D(%5BC%3A20%5D2%5BC%3A28%5D3%5BC%3A23%5D(%3D%5BCH%3A24%5D%5BCH%3A25%5D%3D%5BC%3A26%5D(%5BCl%3A29%5D)%5BCH%3A27%5D%3D3)%5BN%3A22%5D(%5BC%3A36%5D(%3D%5BO%3A37%5D)%5BN%3A35%5D(%5BCH3%3A39%5D)%5BCH3%3A34%5D)%5BCH%3A21%5D%3D2)%3D%5BO%3A19%5D)%5BC%3A8%5D2%5BCH%3A9%5D%3D%5BCH%3A10%5D%5BCH%3A11%5D%3D%5BCH%3A12%5D%5BCH%3A13%5D%3D2)%5BCH%3A6%5D%3D%5BCH%3A5%5D%5BCH%3A4%5D%3D%5BCH%3A3%5D%5BCH%3A2%5D%3D1&w=100&h=80)
![[CH3:33][N:31]([CH3:32])[C:30]([N:22]1[C:23]2[C:28](=[CH:27][C:26]([Cl:29])=[CH:25][CH:24]=2)[C:20]([C:18](=[O:19])[CH:17]=[C:16]([OH:35])[C:15]([OH:36])=[O:14])=[CH:21]1)=[O:34]](/api/mol/svg?smiles=%5BCH3%3A33%5D%5BN%3A31%5D(%5BCH3%3A32%5D)%5BC%3A30%5D(%5BN%3A22%5D1%5BC%3A23%5D2%5BC%3A28%5D(%3D%5BCH%3A27%5D%5BC%3A26%5D(%5BCl%3A29%5D)%3D%5BCH%3A25%5D%5BCH%3A24%5D%3D2)%5BC%3A20%5D(%5BC%3A18%5D(%3D%5BO%3A19%5D)%5BCH%3A17%5D%3D%5BC%3A16%5D(%5BOH%3A35%5D)%5BC%3A15%5D(%5BOH%3A36%5D)%3D%5BO%3A14%5D)%3D%5BCH%3A21%5D1)%3D%5BO%3A34%5D&w=100&h=80)
=[CH:13][CH:12]=2)[C:8]([C:6](=[O:7])[CH:5]=[C:4]([OH:28])[C:3]([OH:29])=[O:2])=[CH:9]1)=[O:22])([CH3:27])([CH3:25])[CH3:26]](/api/mol/svg?smiles=%5BC%3A24%5D(%5BO%3A23%5D%5BC%3A21%5D(%5BN%3A10%5D1%5BC%3A11%5D2%5BC%3A16%5D(%3D%5BCH%3A15%5D%5BC%3A14%5D(%5BO%3A17%5D%5BCH2%3A18%5D%5BO%3A19%5D%5BCH3%3A20%5D)%3D%5BCH%3A13%5D%5BCH%3A12%5D%3D2)%5BC%3A8%5D(%5BC%3A6%5D(%3D%5BO%3A7%5D)%5BCH%3A5%5D%3D%5BC%3A4%5D(%5BOH%3A28%5D)%5BC%3A3%5D(%5BOH%3A29%5D)%3D%5BO%3A2%5D)%3D%5BCH%3A9%5D1)%3D%5BO%3A22%5D)(%5BCH3%3A27%5D)(%5BCH3%3A25%5D)%5BCH3%3A26%5D&w=100&h=80)
[C:4]([C:1](=[O:3])[CH:2]=[C:44]([C:32]2([C:33]([OH:35])=[O:34])[CH:31]=[CH:39][CH:38]=[CH:37][CH2:36]2)[OH:45])=[CH:5]1)=[O:14])([CH3:19])([CH3:18])[CH3:17]](/api/mol/svg?smiles=%5BC%3A16%5D(%5BO%3A15%5D%5BC%3A13%5D(%5BN%3A6%5D1%5BC%3A7%5D2%5BC%3A12%5D(%3D%5BCH%3A11%5D%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D2)%5BC%3A4%5D(%5BC%3A1%5D(%3D%5BO%3A3%5D)%5BCH%3A2%5D%3D%5BC%3A44%5D(%5BC%3A32%5D2(%5BC%3A33%5D(%5BOH%3A35%5D)%3D%5BO%3A34%5D)%5BCH%3A31%5D%3D%5BCH%3A39%5D%5BCH%3A38%5D%3D%5BCH%3A37%5D%5BCH2%3A36%5D2)%5BOH%3A45%5D)%3D%5BCH%3A5%5D1)%3D%5BO%3A14%5D)(%5BCH3%3A19%5D)(%5BCH3%3A18%5D)%5BCH3%3A17%5D&w=100&h=80)
![[C:17]1([S:14]([N:6]2[C:7]3[C:12](=[CH:11][C:10]([Cl:13])=[CH:9][CH:8]=3)[C:4]([C:1](=[O:3])[CH2:2][C:37]([C:36]3[CH:40]=[CH:41][CH:42]=[CH:43][C:35]=3[O:34][CH3:33])=[O:38])=[CH:5]2)(=[O:16])=[O:15])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1](/api/mol/svg?smiles=%5BC%3A17%5D1(%5BS%3A14%5D(%5BN%3A6%5D2%5BC%3A7%5D3%5BC%3A12%5D(%3D%5BCH%3A11%5D%5BC%3A10%5D(%5BCl%3A13%5D)%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D3)%5BC%3A4%5D(%5BC%3A1%5D(%3D%5BO%3A3%5D)%5BCH2%3A2%5D%5BC%3A37%5D(%5BC%3A36%5D3%5BCH%3A40%5D%3D%5BCH%3A41%5D%5BCH%3A42%5D%3D%5BCH%3A43%5D%5BC%3A35%5D%3D3%5BO%3A34%5D%5BCH3%3A33%5D)%3D%5BO%3A38%5D)%3D%5BCH%3A5%5D2)(%3D%5BO%3A16%5D)%3D%5BO%3A15%5D)%5BCH%3A22%5D%3D%5BCH%3A21%5D%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BCH%3A18%5D%3D1&w=100&h=80)
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Dataset #492
反应 #2171045
收率 53.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171046
收率 86.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171047
收率 96.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171048
收率 65.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171049
收率 36.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171050
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171051
收率 86.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171052
收率 81.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171053
收率 87.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171054
收率 79.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171055
收率 38.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171056
收率 80.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171057
收率 77.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171058
收率 67.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171059
收率 84.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171060
收率 30.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171061
收率 23.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171062
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171063
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2171064
收率 88.0%DOI: 10.6084/m9.figshare.5104873.v1