← 浏览数据集![[NH2:1][C:2]1[C:7]([F:8])=[C:6]([CH:15]=[CH2:16])[N:5]=[C:4]([C:10]([O:12][CH3:13])=[O:11])[C:3]=1[Cl:14]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BF%3A8%5D)%3D%5BC%3A6%5D(%5BCH%3A15%5D%3D%5BCH2%3A16%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A10%5D(%5BO%3A12%5D%5BCH3%3A13%5D)%3D%5BO%3A11%5D)%5BC%3A3%5D%3D1%5BCl%3A14%5D&w=100&h=80)
![[NH2:1][C:2]1[C:7]([F:8])=[C:6]([CH2:9][CH3:10])[N:5]=[C:4]([C:11]([O:13][CH3:14])=[O:12])[C:3]=1[Cl:15]](/api/mol/svg?smiles=%5BNH2%3A1%5D%5BC%3A2%5D1%5BC%3A7%5D(%5BF%3A8%5D)%3D%5BC%3A6%5D(%5BCH2%3A9%5D%5BCH3%3A10%5D)%5BN%3A5%5D%3D%5BC%3A4%5D(%5BC%3A11%5D(%5BO%3A13%5D%5BCH3%3A14%5D)%3D%5BO%3A12%5D)%5BC%3A3%5D%3D1%5BCl%3A15%5D&w=100&h=80)
![[NH2:3][C:4]1[C:9]([F:10])=[C:8]([CH2:11][CH3:12])[N:7]=[C:6]([C:13]([OH:15])=[O:14])[C:5]=1[Cl:17]](/api/mol/svg?smiles=%5BNH2%3A3%5D%5BC%3A4%5D1%5BC%3A9%5D(%5BF%3A10%5D)%3D%5BC%3A8%5D(%5BCH2%3A11%5D%5BCH3%3A12%5D)%5BN%3A7%5D%3D%5BC%3A6%5D(%5BC%3A13%5D(%5BOH%3A15%5D)%3D%5BO%3A14%5D)%5BC%3A5%5D%3D1%5BCl%3A17%5D&w=100&h=80)
![[NH2:37][C:38]1[C:43]([F:44])=[C:42]([CH3:7])[N:41]=[C:40]([C:46]([O:48][CH3:49])=[O:47])[C:39]=1[Cl:50]](/api/mol/svg?smiles=%5BNH2%3A37%5D%5BC%3A38%5D1%5BC%3A43%5D(%5BF%3A44%5D)%3D%5BC%3A42%5D(%5BCH3%3A7%5D)%5BN%3A41%5D%3D%5BC%3A40%5D(%5BC%3A46%5D(%5BO%3A48%5D%5BCH3%3A49%5D)%3D%5BO%3A47%5D)%5BC%3A39%5D%3D1%5BCl%3A50%5D&w=100&h=80)
![[Cl:23][C:20]1[CH:21]=[CH:22][C:17]([CH2:2][Cl:1])=[N+:18]([O-:28])[C:19]=1[C:24]([O:26][CH3:27])=[O:25]](/api/mol/svg?smiles=%5BCl%3A23%5D%5BC%3A20%5D1%5BCH%3A21%5D%3D%5BCH%3A22%5D%5BC%3A17%5D(%5BCH2%3A2%5D%5BCl%3A1%5D)%3D%5BN%2B%3A18%5D(%5BO-%3A28%5D)%5BC%3A19%5D%3D1%5BC%3A24%5D(%5BO%3A26%5D%5BCH3%3A27%5D)%3D%5BO%3A25%5D&w=100&h=80)
![[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][O:16][CH3:15])=[N+:4]([O-:10])[C:3]=1[C:11]([O:13][CH3:14])=[O:12]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A7%5D%3D%5BCH%3A6%5D%5BC%3A5%5D(%5BCH2%3A8%5D%5BO%3A16%5D%5BCH3%3A15%5D)%3D%5BN%2B%3A4%5D(%5BO-%3A10%5D)%5BC%3A3%5D%3D1%5BC%3A11%5D(%5BO%3A13%5D%5BCH3%3A14%5D)%3D%5BO%3A12%5D&w=100&h=80)
![[Cl:1][C:2]1[C:3]([C:12]([O:14][CH3:15])=[O:13])=[N:4][C:5]([CH2:8][O:9][CH3:10])=[CH:6][C:7]=1[Cl:18]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BC%3A3%5D(%5BC%3A12%5D(%5BO%3A14%5D%5BCH3%3A15%5D)%3D%5BO%3A13%5D)%3D%5BN%3A4%5D%5BC%3A5%5D(%5BCH2%3A8%5D%5BO%3A9%5D%5BCH3%3A10%5D)%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BCl%3A18%5D&w=100&h=80)
![[CH3:1][O:2][C@@H:3]1[O:27][C@H:26]([CH2:28][O:29][CH2:30][C:31]2[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=2[Cl:38])[C@@H:15]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=2[Cl:25])[C@H:4]1[OH:5]](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BO%3A2%5D%5BC%40%40H%3A3%5D1%5BO%3A27%5D%5BC%40H%3A26%5D(%5BCH2%3A28%5D%5BO%3A29%5D%5BCH2%3A30%5D%5BC%3A31%5D2%5BCH%3A36%5D%3D%5BCH%3A35%5D%5BC%3A34%5D(%5BCl%3A37%5D)%3D%5BCH%3A33%5D%5BC%3A32%5D%3D2%5BCl%3A38%5D)%5BC%40%40H%3A15%5D(%5BO%3A16%5D%5BCH2%3A17%5D%5BC%3A18%5D2%5BCH%3A23%5D%3D%5BCH%3A22%5D%5BC%3A21%5D(%5BCl%3A24%5D)%3D%5BCH%3A20%5D%5BC%3A19%5D%3D2%5BCl%3A25%5D)%5BC%40H%3A4%5D1%5BOH%3A5%5D&w=100&h=80)
![[CH:2]1[NH:3][C:4]2[N:9]=[CH:8][N:7]=[C:6]([Cl:10])[C:5]=2[C:1]=1[I:11]](/api/mol/svg?smiles=%5BCH%3A2%5D1%5BNH%3A3%5D%5BC%3A4%5D2%5BN%3A9%5D%3D%5BCH%3A8%5D%5BN%3A7%5D%3D%5BC%3A6%5D(%5BCl%3A10%5D)%5BC%3A5%5D%3D2%5BC%3A1%5D%3D1%5BI%3A11%5D&w=100&h=80)
![[Cl-:1]](/api/mol/svg?smiles=%5BCl-%3A1%5D&w=100&h=80)
![[Cl:1][CH2:2][CH:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)[OH:4]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BCH2%3A2%5D%5BCH%3A3%5D(%5BC%3A5%5D1%5BCH%3A10%5D%3D%5BCH%3A9%5D%5BCH%3A8%5D%3D%5BCH%3A7%5D%5BCH%3A6%5D%3D1)%5BOH%3A4%5D&w=100&h=80)
![[CH3:13][C:11]1[N:3]=[CH:1][S:2][C:5]=1[C:6]([O:8][CH2:9][CH3:10])=[O:7]](/api/mol/svg?smiles=%5BCH3%3A13%5D%5BC%3A11%5D1%5BN%3A3%5D%3D%5BCH%3A1%5D%5BS%3A2%5D%5BC%3A5%5D%3D1%5BC%3A6%5D(%5BO%3A8%5D%5BCH2%3A9%5D%5BCH3%3A10%5D)%3D%5BO%3A7%5D&w=100&h=80)
![[Cl-:9]](/api/mol/svg?smiles=%5BCl-%3A9%5D&w=100&h=80)
![[Br-:8]](/api/mol/svg?smiles=%5BBr-%3A8%5D&w=100&h=80)
![[Cl:6][CH2:7][C:8]([N:1]1[CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:9]](/api/mol/svg?smiles=%5BCl%3A6%5D%5BCH2%3A7%5D%5BC%3A8%5D(%5BN%3A1%5D1%5BCH2%3A5%5D%5BCH2%3A4%5D%5BCH2%3A3%5D%5BCH2%3A2%5D1)%3D%5BO%3A9%5D&w=100&h=80)
![[Cl-:1]](/api/mol/svg?smiles=%5BCl-%3A1%5D&w=100&h=80)
![[C:10]1([CH3:23])[CH:15]=[C:14]([CH3:16])[CH:13]=[C:12]([CH3:17])[C:11]=1[S:18]([O-:21])(=[O:20])=[O:19]](/api/mol/svg?smiles=%5BC%3A10%5D1(%5BCH3%3A23%5D)%5BCH%3A15%5D%3D%5BC%3A14%5D(%5BCH3%3A16%5D)%5BCH%3A13%5D%3D%5BC%3A12%5D(%5BCH3%3A17%5D)%5BC%3A11%5D%3D1%5BS%3A18%5D(%5BO-%3A21%5D)(%3D%5BO%3A20%5D)%3D%5BO%3A19%5D&w=100&h=80)
![[CH:65]1[CH:66]=[CH:67][C:68]([C:87]([OH:89])=[O:88])=[C:69]([C:71]2[C:72]3[CH:73]=[CH:74][C:75]([OH:76])=[CH:77][C:78]=3[O:79][C:80]3[C:81]=2[CH:82]=[CH:83][C:84]([CH:85]=3)=[O:86])[CH:70]=1](/api/mol/svg?smiles=%5BCH%3A65%5D1%5BCH%3A66%5D%3D%5BCH%3A67%5D%5BC%3A68%5D(%5BC%3A87%5D(%5BOH%3A89%5D)%3D%5BO%3A88%5D)%3D%5BC%3A69%5D(%5BC%3A71%5D2%5BC%3A72%5D3%5BCH%3A73%5D%3D%5BCH%3A74%5D%5BC%3A75%5D(%5BOH%3A76%5D)%3D%5BCH%3A77%5D%5BC%3A78%5D%3D3%5BO%3A79%5D%5BC%3A80%5D3%5BC%3A81%5D%3D2%5BCH%3A82%5D%3D%5BCH%3A83%5D%5BC%3A84%5D(%5BCH%3A85%5D%3D3)%3D%5BO%3A86%5D)%5BCH%3A70%5D%3D1&w=100&h=80)
[CH:14]=[C:6]1[C:4]([OH:5])=[O:3])#[N:17]](/api/mol/svg?smiles=%5BC%3A16%5D(%5BCH2%3A15%5D%5BN%3A7%5D1%5BC%3A8%5D2%5BC%3A13%5D(%3D%5BCH%3A12%5D%5BCH%3A11%5D%3D%5BCH%3A10%5D%5BCH%3A9%5D%3D2)%5BCH%3A14%5D%3D%5BC%3A6%5D1%5BC%3A4%5D(%5BOH%3A5%5D)%3D%5BO%3A3%5D)%23%5BN%3A17%5D&w=100&h=80)
![[Cl:15][C:11]1[CH:12]=[C:13]2[C:8](=[CH:9][CH:10]=1)[N:7]([CH2:16][C:17]#[N:18])[C:6]([C:4]([OH:5])=[O:3])=[CH:14]2](/api/mol/svg?smiles=%5BCl%3A15%5D%5BC%3A11%5D1%5BCH%3A12%5D%3D%5BC%3A13%5D2%5BC%3A8%5D(%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D1)%5BN%3A7%5D(%5BCH2%3A16%5D%5BC%3A17%5D%23%5BN%3A18%5D)%5BC%3A6%5D(%5BC%3A4%5D(%5BOH%3A5%5D)%3D%5BO%3A3%5D)%3D%5BCH%3A14%5D2&w=100&h=80)
Dataset #497
反应 #2200595
收率 67.3%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200596
收率 76.9%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200597
收率 78.5%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200598
收率 500.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200599
收率 66.9%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200600
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200601
收率 98.3%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200602
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200603
收率 83.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200604
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200605
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200606
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200607
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200608
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200609
收率 48.6%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200610
收率 41.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200611
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200612
DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200613
收率 70.0%DOI: 10.6084/m9.figshare.5104873.v1
反应 #2200614
收率 84.0%DOI: 10.6084/m9.figshare.5104873.v1