← 浏览数据集=[C:8]([O:11][CH3:12])[CH:7]=[CH:6][C:3]=1[CH:4]=[O:5])([C:16]([CH3:19])([CH3:18])[CH3:17])([CH3:15])[CH3:14]](/api/mol/svg?smiles=%5BSi%3A13%5D(%5BC%3A2%5D1%5BC%3A9%5D(%5BBr%3A10%5D)%3D%5BC%3A8%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BO%3A5%5D)(%5BC%3A16%5D(%5BCH3%3A19%5D)(%5BCH3%3A18%5D)%5BCH3%3A17%5D)(%5BCH3%3A15%5D)%5BCH3%3A14%5D&w=100&h=80)
=[C:8]([O:11][CH3:12])[CH:7]=[CH:6][C:3]=1[CH:4]=[O:5])([C:16]([CH3:19])([CH3:18])[CH3:17])([CH3:15])[CH3:14]](/api/mol/svg?smiles=%5BSi%3A13%5D(%5BC%3A2%5D1%5BC%3A9%5D(%5BBr%3A10%5D)%3D%5BC%3A8%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BO%3A5%5D)(%5BC%3A16%5D(%5BCH3%3A19%5D)(%5BCH3%3A18%5D)%5BCH3%3A17%5D)(%5BCH3%3A15%5D)%5BCH3%3A14%5D&w=100&h=80)
=[C:8]([O:11][CH3:12])[CH:7]=[CH:6][C:3]=1[CH:4]=[O:5])([C:16]([CH3:19])([CH3:18])[CH3:17])([CH3:15])[CH3:14]](/api/mol/svg?smiles=%5BSi%3A13%5D(%5BC%3A2%5D1%5BC%3A9%5D(%5BBr%3A10%5D)%3D%5BC%3A8%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BO%3A5%5D)(%5BC%3A16%5D(%5BCH3%3A19%5D)(%5BCH3%3A18%5D)%5BCH3%3A17%5D)(%5BCH3%3A15%5D)%5BCH3%3A14%5D&w=100&h=80)
=[C:8]([O:11][CH3:12])[CH:7]=[CH:6][C:3]=1[CH:4]=[O:5])([C:16]([CH3:19])([CH3:18])[CH3:17])([CH3:15])[CH3:14]](/api/mol/svg?smiles=%5BSi%3A13%5D(%5BC%3A2%5D1%5BC%3A9%5D(%5BBr%3A10%5D)%3D%5BC%3A8%5D(%5BO%3A11%5D%5BCH3%3A12%5D)%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A3%5D%3D1%5BCH%3A4%5D%3D%5BO%3A5%5D)(%5BC%3A16%5D(%5BCH3%3A19%5D)(%5BCH3%3A18%5D)%5BCH3%3A17%5D)(%5BCH3%3A15%5D)%5BCH3%3A14%5D&w=100&h=80)
=[O:15])=[C:3]([O:2][CH3:1])[CH:10]=[CH:9][C:6]=1/[CH:7]=[CH:23]\[C:22]1[CH:43]=[C:44]([O:48][CH3:49])[C:45]([O:46][CH3:47])=[C:20]([O:19][CH3:18])[CH:21]=1)([O-:13])=[O:12]](/api/mol/svg?smiles=%5BN%2B%3A11%5D(%5BC%3A5%5D1%5BC%3A4%5D(%5BN%2B%3A14%5D(%5BO-%3A16%5D)%3D%5BO%3A15%5D)%3D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A6%5D%3D1%2F%5BCH%3A7%5D%3D%5BCH%3A23%5D%5C%5BC%3A22%5D1%5BCH%3A43%5D%3D%5BC%3A44%5D(%5BO%3A48%5D%5BCH3%3A49%5D)%5BC%3A45%5D(%5BO%3A46%5D%5BCH3%3A47%5D)%3D%5BC%3A20%5D(%5BO%3A19%5D%5BCH3%3A18%5D)%5BCH%3A21%5D%3D1)(%5BO-%3A13%5D)%3D%5BO%3A12%5D&w=100&h=80)
=[O:15])=[C:3]([O:2][CH3:1])[CH:10]=[CH:9][C:6]=1/[CH:7]=[CH:23]\[C:22]1[CH:43]=[C:44]([O:48][CH3:49])[C:45]([O:46][CH3:47])=[C:20]([O:19][CH3:18])[CH:21]=1)([O-:13])=[O:12]](/api/mol/svg?smiles=%5BN%2B%3A11%5D(%5BC%3A5%5D1%5BC%3A4%5D(%5BN%2B%3A14%5D(%5BO-%3A16%5D)%3D%5BO%3A15%5D)%3D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A6%5D%3D1%2F%5BCH%3A7%5D%3D%5BCH%3A23%5D%5C%5BC%3A22%5D1%5BCH%3A43%5D%3D%5BC%3A44%5D(%5BO%3A48%5D%5BCH3%3A49%5D)%5BC%3A45%5D(%5BO%3A46%5D%5BCH3%3A47%5D)%3D%5BC%3A20%5D(%5BO%3A19%5D%5BCH3%3A18%5D)%5BCH%3A21%5D%3D1)(%5BO-%3A13%5D)%3D%5BO%3A12%5D&w=100&h=80)
=[O:15])=[C:3]([O:2][CH3:1])[CH:10]=[CH:9][C:6]=1/[CH:7]=[CH:23]\[C:22]1[CH:43]=[C:44]([O:48][CH3:49])[C:45]([O:46][CH3:47])=[C:20]([O:19][CH3:18])[CH:21]=1)([O-:13])=[O:12]](/api/mol/svg?smiles=%5BN%2B%3A11%5D(%5BC%3A5%5D1%5BC%3A4%5D(%5BN%2B%3A14%5D(%5BO-%3A16%5D)%3D%5BO%3A15%5D)%3D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A6%5D%3D1%2F%5BCH%3A7%5D%3D%5BCH%3A23%5D%5C%5BC%3A22%5D1%5BCH%3A43%5D%3D%5BC%3A44%5D(%5BO%3A48%5D%5BCH3%3A49%5D)%5BC%3A45%5D(%5BO%3A46%5D%5BCH3%3A47%5D)%3D%5BC%3A20%5D(%5BO%3A19%5D%5BCH3%3A18%5D)%5BCH%3A21%5D%3D1)(%5BO-%3A13%5D)%3D%5BO%3A12%5D&w=100&h=80)
=[O:15])=[C:3]([O:2][CH3:1])[CH:10]=[CH:9][C:6]=1/[CH:7]=[CH:23]\[C:22]1[CH:43]=[C:44]([O:48][CH3:49])[C:45]([O:46][CH3:47])=[C:20]([O:19][CH3:18])[CH:21]=1)([O-:13])=[O:12]](/api/mol/svg?smiles=%5BN%2B%3A11%5D(%5BC%3A5%5D1%5BC%3A4%5D(%5BN%2B%3A14%5D(%5BO-%3A16%5D)%3D%5BO%3A15%5D)%3D%5BC%3A3%5D(%5BO%3A2%5D%5BCH3%3A1%5D)%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BC%3A6%5D%3D1%2F%5BCH%3A7%5D%3D%5BCH%3A23%5D%5C%5BC%3A22%5D1%5BCH%3A43%5D%3D%5BC%3A44%5D(%5BO%3A48%5D%5BCH3%3A49%5D)%5BC%3A45%5D(%5BO%3A46%5D%5BCH3%3A47%5D)%3D%5BC%3A20%5D(%5BO%3A19%5D%5BCH3%3A18%5D)%5BCH%3A21%5D%3D1)(%5BO-%3A13%5D)%3D%5BO%3A12%5D&w=100&h=80)
![[NH2:1][C:4]1[C:23]([NH2:24])=[C:22]([O:27][CH3:28])[CH:21]=[CH:20][C:5]=1/[CH:6]=[CH:7]\[C:8]1[CH:13]=[C:12]([O:14][CH3:15])[C:11]([O:16][CH3:17])=[C:10]([O:18][CH3:19])[CH:9]=1](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A4%5D1%5BC%3A23%5D(%5BNH2%3A24%5D)%3D%5BC%3A22%5D(%5BO%3A27%5D%5BCH3%3A28%5D)%5BCH%3A21%5D%3D%5BCH%3A20%5D%5BC%3A5%5D%3D1%2F%5BCH%3A6%5D%3D%5BCH%3A7%5D%5C%5BC%3A8%5D1%5BCH%3A13%5D%3D%5BC%3A12%5D(%5BO%3A14%5D%5BCH3%3A15%5D)%5BC%3A11%5D(%5BO%3A16%5D%5BCH3%3A17%5D)%3D%5BC%3A10%5D(%5BO%3A18%5D%5BCH3%3A19%5D)%5BCH%3A9%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[C:6]([N:7]([CH2:8][CH3:9])[C:29](=[O:30])[CH2:28][CH2:27][S:26][CH2:25][CH2:24][C:23]([F:33])([F:32])[F:22])=[CH:5][N:4]([C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)[N:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BC%3A6%5D(%5BN%3A7%5D(%5BCH2%3A8%5D%5BCH3%3A9%5D)%5BC%3A29%5D(%3D%5BO%3A30%5D)%5BCH2%3A28%5D%5BCH2%3A27%5D%5BS%3A26%5D%5BCH2%3A25%5D%5BCH2%3A24%5D%5BC%3A23%5D(%5BF%3A33%5D)(%5BF%3A32%5D)%5BF%3A22%5D)%3D%5BCH%3A5%5D%5BN%3A4%5D(%5BC%3A10%5D2%5BCH%3A11%5D%3D%5BN%3A12%5D%5BCH%3A13%5D%3D%5BCH%3A14%5D%5BCH%3A15%5D%3D2)%5BN%3A3%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[C:6]([N:7]([CH2:8][CH3:9])[C:29](=[O:30])[CH2:28][CH2:27][S:26][CH2:25][CH2:24][C:23]([F:33])([F:32])[F:22])=[CH:5][N:4]([C:10]2[CH:11]=[N:12][CH:13]=[CH:14][CH:15]=2)[N:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BC%3A6%5D(%5BN%3A7%5D(%5BCH2%3A8%5D%5BCH3%3A9%5D)%5BC%3A29%5D(%3D%5BO%3A30%5D)%5BCH2%3A28%5D%5BCH2%3A27%5D%5BS%3A26%5D%5BCH2%3A25%5D%5BCH2%3A24%5D%5BC%3A23%5D(%5BF%3A33%5D)(%5BF%3A32%5D)%5BF%3A22%5D)%3D%5BCH%3A5%5D%5BN%3A4%5D(%5BC%3A10%5D2%5BCH%3A11%5D%3D%5BN%3A12%5D%5BCH%3A13%5D%3D%5BCH%3A14%5D%5BCH%3A15%5D%3D2)%5BN%3A3%5D%3D1&w=100&h=80)
![[Cl:1][C:2]1[C:6]([N:7]([CH2:19][CH3:20])[C:8](=[O:18])[CH2:9][CH2:10][S:11]([CH2:12][CH2:13][C:14]([F:16])([F:15])[F:17])=[O:27])=[CH:5][N:4]([C:21]2[CH:22]=[N:23][CH:24]=[CH:25][CH:26]=2)[N:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BC%3A6%5D(%5BN%3A7%5D(%5BCH2%3A19%5D%5BCH3%3A20%5D)%5BC%3A8%5D(%3D%5BO%3A18%5D)%5BCH2%3A9%5D%5BCH2%3A10%5D%5BS%3A11%5D(%5BCH2%3A12%5D%5BCH2%3A13%5D%5BC%3A14%5D(%5BF%3A16%5D)(%5BF%3A15%5D)%5BF%3A17%5D)%3D%5BO%3A27%5D)%3D%5BCH%3A5%5D%5BN%3A4%5D(%5BC%3A21%5D2%5BCH%3A22%5D%3D%5BN%3A23%5D%5BCH%3A24%5D%3D%5BCH%3A25%5D%5BCH%3A26%5D%3D2)%5BN%3A3%5D%3D1&w=100&h=80)
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![[Cl:1][C:2]1[N:7]=[C:6]([CH:11]=[CH2:12])[C:5]([O:8][CH3:9])=[C:4]([Cl:10])[N:3]=1](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BN%3A7%5D%3D%5BC%3A6%5D(%5BCH%3A11%5D%3D%5BCH2%3A12%5D)%5BC%3A5%5D(%5BO%3A8%5D%5BCH3%3A9%5D)%3D%5BC%3A4%5D(%5BCl%3A10%5D)%5BN%3A3%5D%3D1&w=100&h=80)
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Dataset #415
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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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收率 83.1%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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收率 51.0%DOI: 10.6084/m9.figshare.5104873.v1
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收率 50.3%DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
反应 #1833209
DOI: 10.6084/m9.figshare.5104873.v1
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DOI: 10.6084/m9.figshare.5104873.v1
反应 #1833211
收率 60.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1833212
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1833212
收率 100.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #1833213
DOI: 10.6084/m9.figshare.5104873.v1
反应 #1833213
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