← 浏览数据集[CH3:2]](/api/mol/svg?smiles=%5BCH%3A1%5D(%3D%5BC%3A3%5D1%5BCH2%3A8%5D%5BCH%3A7%5D2%5BCH2%3A9%5D%5BCH%3A4%5D1%5BCH2%3A5%5D%5BCH2%3A6%5D2)%5BCH3%3A2%5D&w=100&h=80)
(=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]](/api/mol/svg?smiles=%5BC%3A1%5D(%5BO-%3A24%5D)(%3D%5BO%3A23%5D)%5BCH2%3A2%5D%5BCH2%3A3%5D%5BCH2%3A4%5D%5BCH2%3A5%5D%5BCH2%3A6%5D%5BCH2%3A7%5D%5BCH2%3A8%5D%5BCH2%3A9%5D%5BCH2%3A10%5D%5BCH2%3A11%5D%5BCH2%3A12%5D%5BCH2%3A13%5D%5BCH2%3A14%5D%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH2%3A18%5D%5BCH2%3A19%5D%5BCH2%3A20%5D%5BCH2%3A21%5D%5BCH3%3A22%5D&w=100&h=80)
![[CH:21]1[CH:17]2[C:16](=[N:24][C:2]([O:19][C:18]2=[O:20])=[O:4])[CH:15]=[C:14]([F:13])[C:22]=1[F:23]](/api/mol/svg?smiles=%5BCH%3A21%5D1%5BCH%3A17%5D2%5BC%3A16%5D(%3D%5BN%3A24%5D%5BC%3A2%5D(%5BO%3A19%5D%5BC%3A18%5D2%3D%5BO%3A20%5D)%3D%5BO%3A4%5D)%5BCH%3A15%5D%3D%5BC%3A14%5D(%5BF%3A13%5D)%5BC%3A22%5D%3D1%5BF%3A23%5D&w=100&h=80)
[C:11]([F:12])=[CH:10][C:5]=2[C:6]([O:8][CH3:9])=[O:7])=[O:36])=[CH:23][CH:22]=1)([O-:26])=[O:25]](/api/mol/svg?smiles=%5BN%2B%3A24%5D(%5BC%3A21%5D1%5BCH%3A20%5D%3D%5BCH%3A19%5D%5BC%3A18%5D(%5BNH%3A27%5D%5BC%3A32%5D(%5BC%3A4%5D2%5BCH%3A3%5D%3D%5BC%3A2%5D(%5BF%3A1%5D)%5BC%3A11%5D(%5BF%3A12%5D)%3D%5BCH%3A10%5D%5BC%3A5%5D%3D2%5BC%3A6%5D(%5BO%3A8%5D%5BCH3%3A9%5D)%3D%5BO%3A7%5D)%3D%5BO%3A36%5D)%3D%5BCH%3A23%5D%5BCH%3A22%5D%3D1)(%5BO-%3A26%5D)%3D%5BO%3A25%5D&w=100&h=80)
![[ClH:1]](/api/mol/svg?smiles=%5BClH%3A1%5D&w=100&h=80)
![[OH:9][C@@H:6]1[CH2:7][CH2:8][NH:1][C@@H:2]1[C:3]([OH:5])=[O:4]](/api/mol/svg?smiles=%5BOH%3A9%5D%5BC%40%40H%3A6%5D1%5BCH2%3A7%5D%5BCH2%3A8%5D%5BNH%3A1%5D%5BC%40%40H%3A2%5D1%5BC%3A3%5D(%5BOH%3A5%5D)%3D%5BO%3A4%5D&w=100&h=80)
![[OH:14][C@@H:13]1[CH2:2][CH2:1][NH:7][C@@H:8]1[C:11]([OH:12])=[O:18]](/api/mol/svg?smiles=%5BOH%3A14%5D%5BC%40%40H%3A13%5D1%5BCH2%3A2%5D%5BCH2%3A1%5D%5BNH%3A7%5D%5BC%40%40H%3A8%5D1%5BC%3A11%5D(%5BOH%3A12%5D)%3D%5BO%3A18%5D&w=100&h=80)
![[OH:9][C@@H:6]1[CH2:7][CH2:8][NH:1][C@@H:2]1[C:3]([OH:5])=[O:4]](/api/mol/svg?smiles=%5BOH%3A9%5D%5BC%40%40H%3A6%5D1%5BCH2%3A7%5D%5BCH2%3A8%5D%5BNH%3A1%5D%5BC%40%40H%3A2%5D1%5BC%3A3%5D(%5BOH%3A5%5D)%3D%5BO%3A4%5D&w=100&h=80)
![[OH:9][C@@H:6]1[CH2:7][CH2:8][NH:1][C@@H:2]1[C:3]([OH:5])=[O:4]](/api/mol/svg?smiles=%5BOH%3A9%5D%5BC%40%40H%3A6%5D1%5BCH2%3A7%5D%5BCH2%3A8%5D%5BNH%3A1%5D%5BC%40%40H%3A2%5D1%5BC%3A3%5D(%5BOH%3A5%5D)%3D%5BO%3A4%5D&w=100&h=80)
![[NH2:48][C@H:39]([C:38]([OH:37])=[O:43])[CH2:40][CH:41]([CH3:42])[CH3:2]](/api/mol/svg?smiles=%5BNH2%3A48%5D%5BC%40H%3A39%5D(%5BC%3A38%5D(%5BOH%3A37%5D)%3D%5BO%3A43%5D)%5BCH2%3A40%5D%5BCH%3A41%5D(%5BCH3%3A42%5D)%5BCH3%3A2%5D&w=100&h=80)
![[NH2:8][C@H:2]([C:1]([OH:6])=[O:5])[CH2:4][CH:52]([CH3:53])[CH3:51]](/api/mol/svg?smiles=%5BNH2%3A8%5D%5BC%40H%3A2%5D(%5BC%3A1%5D(%5BOH%3A6%5D)%3D%5BO%3A5%5D)%5BCH2%3A4%5D%5BCH%3A52%5D(%5BCH3%3A53%5D)%5BCH3%3A51%5D&w=100&h=80)
![[Cl:8][C:6]1[N:5]=[C:4]([O:9][CH3:10])[N:3]([CH:11]([F:12])[F:13])[CH:2]([NH:1][C:27]([NH:26][S:23]([C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=2[N+:14]([O-:16])=[O:15])(=[O:24])=[O:25])=[O:28])[N:7]=1](/api/mol/svg?smiles=%5BCl%3A8%5D%5BC%3A6%5D1%5BN%3A5%5D%3D%5BC%3A4%5D(%5BO%3A9%5D%5BCH3%3A10%5D)%5BN%3A3%5D(%5BCH%3A11%5D(%5BF%3A12%5D)%5BF%3A13%5D)%5BCH%3A2%5D(%5BNH%3A1%5D%5BC%3A27%5D(%5BNH%3A26%5D%5BS%3A23%5D(%5BC%3A18%5D2%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BCH%3A21%5D%3D%5BCH%3A22%5D%5BC%3A17%5D%3D2%5BN%2B%3A14%5D(%5BO-%3A16%5D)%3D%5BO%3A15%5D)(%3D%5BO%3A24%5D)%3D%5BO%3A25%5D)%3D%5BO%3A28%5D)%5BN%3A7%5D%3D1&w=100&h=80)
[CH:7]([CH2:9][C:10]([NH:5][CH2:1][CH:2]([CH3:4])[CH3:3])=[O:12])[OH:8])[CH:2]([CH3:4])[CH3:3]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BNH%3A5%5D%5BC%3A6%5D(%3D%5BO%3A16%5D)%5BCH%3A7%5D(%5BCH2%3A9%5D%5BC%3A10%5D(%5BNH%3A5%5D%5BCH2%3A1%5D%5BCH%3A2%5D(%5BCH3%3A4%5D)%5BCH3%3A3%5D)%3D%5BO%3A12%5D)%5BOH%3A8%5D)%5BCH%3A2%5D(%5BCH3%3A4%5D)%5BCH3%3A3%5D&w=100&h=80)
[CH:8]([CH2:10][C:11]([NH:6][CH2:1][CH2:2][CH:3]([CH3:5])[CH3:4])=[O:13])[OH:9])[CH2:2][CH:3]([CH3:5])[CH3:4]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BNH%3A6%5D%5BC%3A7%5D(%3D%5BO%3A17%5D)%5BCH%3A8%5D(%5BCH2%3A10%5D%5BC%3A11%5D(%5BNH%3A6%5D%5BCH2%3A1%5D%5BCH2%3A2%5D%5BCH%3A3%5D(%5BCH3%3A5%5D)%5BCH3%3A4%5D)%3D%5BO%3A13%5D)%5BOH%3A9%5D)%5BCH2%3A2%5D%5BCH%3A3%5D(%5BCH3%3A5%5D)%5BCH3%3A4%5D&w=100&h=80)
![[CH:16]1[CH:4]=[CH:5][C:6](=[O:17])/[C:7](=[CH:8]/[NH:9][CH2:10][CH2:11][NH:13]/[CH:26]=[C:25]2/[CH:28]=[CH:29][CH:22]=[CH:23][C:24]/2=[O:30])/[CH:15]=1](/api/mol/svg?smiles=%5BCH%3A16%5D1%5BCH%3A4%5D%3D%5BCH%3A5%5D%5BC%3A6%5D(%3D%5BO%3A17%5D)%2F%5BC%3A7%5D(%3D%5BCH%3A8%5D%2F%5BNH%3A9%5D%5BCH2%3A10%5D%5BCH2%3A11%5D%5BNH%3A13%5D%2F%5BCH%3A26%5D%3D%5BC%3A25%5D2%2F%5BCH%3A28%5D%3D%5BCH%3A29%5D%5BCH%3A22%5D%3D%5BCH%3A23%5D%5BC%3A24%5D%2F2%3D%5BO%3A30%5D)%2F%5BCH%3A15%5D%3D1&w=100&h=80)
[C:4]1[CH:5]=[C:6]([OH:19])[C:7](=[CH:17][CH:18]=1)[CH:8]=[N:9][C@@H:10]1[CH2:15][CH2:14][CH2:13][CH2:12][C@H:11]1[N:16]=[CH:25][C:24]1[C:23](=[CH:30][C:29]([OH:31])=[CH:28][CH:27]=1)[OH:22])[CH3:21]](/api/mol/svg?smiles=%5BCH2%3A20%5D(%5BN%3A3%5D(%5BCH2%3A1%5D%5BCH3%3A2%5D)%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BC%3A6%5D(%5BOH%3A19%5D)%5BC%3A7%5D(%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D1)%5BCH%3A8%5D%3D%5BN%3A9%5D%5BC%40%40H%3A10%5D1%5BCH2%3A15%5D%5BCH2%3A14%5D%5BCH2%3A13%5D%5BCH2%3A12%5D%5BC%40H%3A11%5D1%5BN%3A16%5D%3D%5BCH%3A25%5D%5BC%3A24%5D1%5BC%3A23%5D(%3D%5BCH%3A30%5D%5BC%3A29%5D(%5BOH%3A31%5D)%3D%5BCH%3A28%5D%5BCH%3A27%5D%3D1)%5BOH%3A22%5D)%5BCH3%3A21%5D&w=100&h=80)
[C:4]1[CH:5]=[C:6]([OH:19])[C:7](=[CH:17][CH:18]=1)[CH:8]=[N:9][C@@H:10]1[CH2:15][CH2:14][CH2:13][CH2:12][C@H:11]1[N:16]=[CH:28][C:27]1[C:26](=[CH:25][C:24]([O:23][CH3:22])=[CH:31][CH:30]=1)[OH:32])[CH3:21]](/api/mol/svg?smiles=%5BCH2%3A20%5D(%5BN%3A3%5D(%5BCH2%3A1%5D%5BCH3%3A2%5D)%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BC%3A6%5D(%5BOH%3A19%5D)%5BC%3A7%5D(%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D1)%5BCH%3A8%5D%3D%5BN%3A9%5D%5BC%40%40H%3A10%5D1%5BCH2%3A15%5D%5BCH2%3A14%5D%5BCH2%3A13%5D%5BCH2%3A12%5D%5BC%40H%3A11%5D1%5BN%3A16%5D%3D%5BCH%3A28%5D%5BC%3A27%5D1%5BC%3A26%5D(%3D%5BCH%3A25%5D%5BC%3A24%5D(%5BO%3A23%5D%5BCH3%3A22%5D)%3D%5BCH%3A31%5D%5BCH%3A30%5D%3D1)%5BOH%3A32%5D)%5BCH3%3A21%5D&w=100&h=80)
[C:6]1[CH:7]=[C:8]([OH:14])[C:9](=[CH:12][CH:13]=1)[CH:10]=[N:21][C:16]1[CH:17]=[CH:18][CH:19]=[CH:20][C:15]=1[NH2:22])[CH3:2]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BN%3A3%5D(%5BCH2%3A4%5D%5BCH3%3A5%5D)%5BC%3A6%5D1%5BCH%3A7%5D%3D%5BC%3A8%5D(%5BOH%3A14%5D)%5BC%3A9%5D(%3D%5BCH%3A12%5D%5BCH%3A13%5D%3D1)%5BCH%3A10%5D%3D%5BN%3A21%5D%5BC%3A16%5D1%5BCH%3A17%5D%3D%5BCH%3A18%5D%5BCH%3A19%5D%3D%5BCH%3A20%5D%5BC%3A15%5D%3D1%5BNH2%3A22%5D)%5BCH3%3A2%5D&w=100&h=80)
[C:4]1[CH:5]=[C:6]([OH:19])[C:7](=[CH:17][CH:18]=1)[CH:8]=[N:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[N:16]=[CH:22][C:23]1[C:24](=[CH:26][CH:27]=[CH:28][CH:29]=1)[OH:25])[CH3:21]](/api/mol/svg?smiles=%5BCH2%3A20%5D(%5BN%3A3%5D(%5BCH2%3A1%5D%5BCH3%3A2%5D)%5BC%3A4%5D1%5BCH%3A5%5D%3D%5BC%3A6%5D(%5BOH%3A19%5D)%5BC%3A7%5D(%3D%5BCH%3A17%5D%5BCH%3A18%5D%3D1)%5BCH%3A8%5D%3D%5BN%3A9%5D%5BC%3A10%5D1%5BCH%3A15%5D%3D%5BCH%3A14%5D%5BCH%3A13%5D%3D%5BCH%3A12%5D%5BC%3A11%5D%3D1%5BN%3A16%5D%3D%5BCH%3A22%5D%5BC%3A23%5D1%5BC%3A24%5D(%3D%5BCH%3A26%5D%5BCH%3A27%5D%3D%5BCH%3A28%5D%5BCH%3A29%5D%3D1)%5BOH%3A25%5D)%5BCH3%3A21%5D&w=100&h=80)
![[CH:21]1[N:26]=[C:25]([NH2:27])[N:24]=[C:23]([NH2:28])[C:22]=1[OH:29]](/api/mol/svg?smiles=%5BCH%3A21%5D1%5BN%3A26%5D%3D%5BC%3A25%5D(%5BNH2%3A27%5D)%5BN%3A24%5D%3D%5BC%3A23%5D(%5BNH2%3A28%5D)%5BC%3A22%5D%3D1%5BOH%3A29%5D&w=100&h=80)
Dataset #516
反应 #2314314
收率 78.9%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314315
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314316
收率 828.7%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314317
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314318
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314319
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314320
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314321
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314322
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314323
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314324
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314325
收率 35.2%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314326
收率 29.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314327
收率 100.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314328
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314329
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314330
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314331
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314332
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2314333
DOI: 10.6084/m9.figshare.5104873.v1