← データセットを閲覧![[O:4]1[C:5]2([CH2:10][CH2:9][C:8]([CH2:11][C:12]([NH:18][C:17]3[C:19]([O:23][CH3:24])=[CH:20][CH:21]=[CH:22][C:16]=3[I:15])=[O:14])=[CH:7][CH2:6]2)[O:1][CH2:2][CH2:3]1](/api/mol/svg?smiles=%5BO%3A4%5D1%5BC%3A5%5D2(%5BCH2%3A10%5D%5BCH2%3A9%5D%5BC%3A8%5D(%5BCH2%3A11%5D%5BC%3A12%5D(%5BNH%3A18%5D%5BC%3A17%5D3%5BC%3A19%5D(%5BO%3A23%5D%5BCH3%3A24%5D)%3D%5BCH%3A20%5D%5BCH%3A21%5D%3D%5BCH%3A22%5D%5BC%3A16%5D%3D3%5BI%3A15%5D)%3D%5BO%3A14%5D)%3D%5BCH%3A7%5D%5BCH2%3A6%5D2)%5BO%3A1%5D%5BCH2%3A2%5D%5BCH2%3A3%5D1&w=100&h=80)
![[Br-:12]](/api/mol/svg?smiles=%5BBr-%3A12%5D&w=100&h=80)
![[Cl-:19]](/api/mol/svg?smiles=%5BCl-%3A19%5D&w=100&h=80)
![[Cl-:16]](/api/mol/svg?smiles=%5BCl-%3A16%5D&w=100&h=80)
![[Br:9][C:10]1[CH:11]=[C:12]2[C:17](=[CH:18][CH:19]=1)[C:16]([Cl:1])=[C:15]([OH:20])[CH:14]=[CH:13]2](/api/mol/svg?smiles=%5BBr%3A9%5D%5BC%3A10%5D1%5BCH%3A11%5D%3D%5BC%3A12%5D2%5BC%3A17%5D(%3D%5BCH%3A18%5D%5BCH%3A19%5D%3D1)%5BC%3A16%5D(%5BCl%3A1%5D)%3D%5BC%3A15%5D(%5BOH%3A20%5D)%5BCH%3A14%5D%3D%5BCH%3A13%5D2&w=100&h=80)
[C:8]([Cl:12])=[C:7]([OH:13])[CH:6]=[CH:5]3)=[CH:23][CH:24]=1)[CH2:15][CH2:16][CH2:17][CH3:18]](/api/mol/svg?smiles=%5BCH2%3A14%5D(%5BC%3A19%5D1%5BCH%3A20%5D%3D%5BCH%3A21%5D%5BC%3A22%5D(%5BC%3A2%5D2%5BCH%3A3%5D%3D%5BC%3A4%5D3%5BC%3A9%5D(%3D%5BCH%3A10%5D%5BCH%3A11%5D%3D2)%5BC%3A8%5D(%5BCl%3A12%5D)%3D%5BC%3A7%5D(%5BOH%3A13%5D)%5BCH%3A6%5D%3D%5BCH%3A5%5D3)%3D%5BCH%3A23%5D%5BCH%3A24%5D%3D1)%5BCH2%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH3%3A18%5D&w=100&h=80)
![[Cl:1][C:2]1[C:11]2[C:6](=[CH:7][C:8]([C:14]#[C:15][CH2:16][CH2:17][CH3:18])=[CH:9][CH:10]=2)[CH:5]=[CH:4][C:3]=1[OH:13]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BC%3A11%5D2%5BC%3A6%5D(%3D%5BCH%3A7%5D%5BC%3A8%5D(%5BC%3A14%5D%23%5BC%3A15%5D%5BCH2%3A16%5D%5BCH2%3A17%5D%5BCH3%3A18%5D)%3D%5BCH%3A9%5D%5BCH%3A10%5D%3D2)%5BCH%3A5%5D%3D%5BCH%3A4%5D%5BC%3A3%5D%3D1%5BOH%3A13%5D&w=100&h=80)
![[ClH:14]](/api/mol/svg?smiles=%5BClH%3A14%5D&w=100&h=80)
(=[O:4])[CH:2]=[CH2:3]](/api/mol/svg?smiles=%5BC%3A1%5D(%5BO-%3A5%5D)(%3D%5BO%3A4%5D)%5BCH%3A2%5D%3D%5BCH2%3A3%5D&w=100&h=80)
[C:21]#[N:22])[CH:11]([CH3:13])[CH3:12]](/api/mol/svg?smiles=%5BCH2%3A10%5D(%5BCH%3A4%5D(%5BCH2%3A3%5D%5BC%3A1%5D%23%5BN%3A2%5D)%5BC%3A21%5D%23%5BN%3A22%5D)%5BCH%3A11%5D(%5BCH3%3A13%5D)%5BCH3%3A12%5D&w=100&h=80)
[CH3:3])[CH2:8][C:9]([O-:13])=[O:11])#[N:7]](/api/mol/svg?smiles=%5BC%3A6%5D(%5BC%40%40H%3A5%5D(%5BCH2%3A1%5D%5BCH%3A2%5D(%5BCH3%3A4%5D)%5BCH3%3A3%5D)%5BCH2%3A8%5D%5BC%3A9%5D(%5BO-%3A13%5D)%3D%5BO%3A11%5D)%23%5BN%3A7%5D&w=100&h=80)
![[NH2:2][CH2:1][C@@H:3]([CH2:8][CH:9]([CH3:11])[CH3:10])[CH2:4][C:5]([OH:7])=[O:6]](/api/mol/svg?smiles=%5BNH2%3A2%5D%5BCH2%3A1%5D%5BC%40%40H%3A3%5D(%5BCH2%3A8%5D%5BCH%3A9%5D(%5BCH3%3A11%5D)%5BCH3%3A10%5D)%5BCH2%3A4%5D%5BC%3A5%5D(%5BOH%3A7%5D)%3D%5BO%3A6%5D&w=100&h=80)
[C:6]#[N:7])[CH:2]([CH3:4])[CH3:3]](/api/mol/svg?smiles=%5BCH2%3A1%5D(%5BCH%3A5%5D(%5BCH2%3A8%5D%5BC%3A9%5D%23%5BN%3A10%5D)%5BC%3A6%5D%23%5BN%3A7%5D)%5BCH%3A2%5D(%5BCH3%3A4%5D)%5BCH3%3A3%5D&w=100&h=80)
![[Br:8][C:5]1[N:6]=[CH:7][C:2]([NH:1][C:20](=[O:21])[C:19]([CH3:24])([CH3:23])[CH3:18])=[N:3][CH:4]=1](/api/mol/svg?smiles=%5BBr%3A8%5D%5BC%3A5%5D1%5BN%3A6%5D%3D%5BCH%3A7%5D%5BC%3A2%5D(%5BNH%3A1%5D%5BC%3A20%5D(%3D%5BO%3A21%5D)%5BC%3A19%5D(%5BCH3%3A24%5D)(%5BCH3%3A23%5D)%5BCH3%3A18%5D)%3D%5BN%3A3%5D%5BCH%3A4%5D%3D1&w=100&h=80)
[CH2:2][C:11]([C:13]1[CH:18]=[N:17][C:16]([NH:19][C:20](=[O:25])[C:21]([CH3:23])([CH3:22])[CH3:24])=[CH:15][N:14]=1)=[O:10])([CH3:8])([CH3:7])[CH3:6]](/api/mol/svg?smiles=%5BC%3A5%5D(%5BO%3A4%5D%5BC%3A1%5D(%3D%5BO%3A3%5D)%5BCH2%3A2%5D%5BC%3A11%5D(%5BC%3A13%5D1%5BCH%3A18%5D%3D%5BN%3A17%5D%5BC%3A16%5D(%5BNH%3A19%5D%5BC%3A20%5D(%3D%5BO%3A25%5D)%5BC%3A21%5D(%5BCH3%3A23%5D)(%5BCH3%3A22%5D)%5BCH3%3A24%5D)%3D%5BCH%3A15%5D%5BN%3A14%5D%3D1)%3D%5BO%3A10%5D)(%5BCH3%3A8%5D)(%5BCH3%3A7%5D)%5BCH3%3A6%5D&w=100&h=80)
[CH:7]([Br:24])[C:8]([C:10]1[CH:15]=[N:14][C:13]([NH:16][C:17](=[O:22])[C:18]([CH3:21])([CH3:20])[CH3:19])=[CH:12][N:11]=1)=[O:9])([CH3:3])([CH3:2])[CH3:4]](/api/mol/svg?smiles=%5BC%3A1%5D(%5BO%3A5%5D%5BC%3A6%5D(%3D%5BO%3A23%5D)%5BCH%3A7%5D(%5BBr%3A24%5D)%5BC%3A8%5D(%5BC%3A10%5D1%5BCH%3A15%5D%3D%5BN%3A14%5D%5BC%3A13%5D(%5BNH%3A16%5D%5BC%3A17%5D(%3D%5BO%3A22%5D)%5BC%3A18%5D(%5BCH3%3A21%5D)(%5BCH3%3A20%5D)%5BCH3%3A19%5D)%3D%5BCH%3A12%5D%5BN%3A11%5D%3D1)%3D%5BO%3A9%5D)(%5BCH3%3A3%5D)(%5BCH3%3A2%5D)%5BCH3%3A4%5D&w=100&h=80)
![[CH3:28][C:27]([CH3:30])([CH3:29])[C:26]([NH:25][C:22]1[N:23]=[CH:24][C:19]([C:17](=[O:18])[CH2:16][O:3][C:1](=[O:4])[CH3:2])=[N:20][CH:21]=1)=[O:31]](/api/mol/svg?smiles=%5BCH3%3A28%5D%5BC%3A27%5D(%5BCH3%3A30%5D)(%5BCH3%3A29%5D)%5BC%3A26%5D(%5BNH%3A25%5D%5BC%3A22%5D1%5BN%3A23%5D%3D%5BCH%3A24%5D%5BC%3A19%5D(%5BC%3A17%5D(%3D%5BO%3A18%5D)%5BCH2%3A16%5D%5BO%3A3%5D%5BC%3A1%5D(%3D%5BO%3A4%5D)%5BCH3%3A2%5D)%3D%5BN%3A20%5D%5BCH%3A21%5D%3D1)%3D%5BO%3A31%5D&w=100&h=80)
![[OH:18][C@@H:12]([C:9]1[N:10]=[CH:11][C:6]([NH:5][C:3](=[O:4])[C:2]([CH3:19])([CH3:1])[CH3:20])=[N:7][CH:8]=1)[CH2:13][OH:14]](/api/mol/svg?smiles=%5BOH%3A18%5D%5BC%40%40H%3A12%5D(%5BC%3A9%5D1%5BN%3A10%5D%3D%5BCH%3A11%5D%5BC%3A6%5D(%5BNH%3A5%5D%5BC%3A3%5D(%3D%5BO%3A4%5D)%5BC%3A2%5D(%5BCH3%3A19%5D)(%5BCH3%3A1%5D)%5BCH3%3A20%5D)%3D%5BN%3A7%5D%5BCH%3A8%5D%3D1)%5BCH2%3A13%5D%5BOH%3A14%5D&w=100&h=80)
![[CH3:1][C:2]1([CH3:20])[O:6][C@@H:5]([C:7]2[N:8]=[CH:9][C:10]([NH2:13])=[N:11][CH:12]=2)[CH2:4][O:3]1](/api/mol/svg?smiles=%5BCH3%3A1%5D%5BC%3A2%5D1(%5BCH3%3A20%5D)%5BO%3A6%5D%5BC%40%40H%3A5%5D(%5BC%3A7%5D2%5BN%3A8%5D%3D%5BCH%3A9%5D%5BC%3A10%5D(%5BNH2%3A13%5D)%3D%5BN%3A11%5D%5BCH%3A12%5D%3D2)%5BCH2%3A4%5D%5BO%3A3%5D1&w=100&h=80)
![[Cl:1][C:2]1[CH:3]=[C:4]([C@@H:12]([CH2:16][CH:17]2[CH2:21][CH2:20][CH2:19][CH2:18]2)[C:13]([NH:40][C:37]2[CH:36]=[N:35][C:34]([C@H:32]3[CH2:31][O:30][C:29]([CH3:41])([CH3:28])[O:33]3)=[CH:39][N:38]=2)=[O:15])[CH:5]=[CH:6][C:7]=1[S:8]([CH3:11])(=[O:9])=[O:10]](/api/mol/svg?smiles=%5BCl%3A1%5D%5BC%3A2%5D1%5BCH%3A3%5D%3D%5BC%3A4%5D(%5BC%40%40H%3A12%5D(%5BCH2%3A16%5D%5BCH%3A17%5D2%5BCH2%3A21%5D%5BCH2%3A20%5D%5BCH2%3A19%5D%5BCH2%3A18%5D2)%5BC%3A13%5D(%5BNH%3A40%5D%5BC%3A37%5D2%5BCH%3A36%5D%3D%5BN%3A35%5D%5BC%3A34%5D(%5BC%40H%3A32%5D3%5BCH2%3A31%5D%5BO%3A30%5D%5BC%3A29%5D(%5BCH3%3A41%5D)(%5BCH3%3A28%5D)%5BO%3A33%5D3)%3D%5BCH%3A39%5D%5BN%3A38%5D%3D2)%3D%5BO%3A15%5D)%5BCH%3A5%5D%3D%5BCH%3A6%5D%5BC%3A7%5D%3D1%5BS%3A8%5D(%5BCH3%3A11%5D)(%3D%5BO%3A9%5D)%3D%5BO%3A10%5D&w=100&h=80)
Dataset #12
反応 #40262
収率 90.0%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40263
DOI: 10.6084/m9.figshare.5104873.v1
反応 #40264
収率 129.8%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40265
収率 163.3%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40266
収率 95.4%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40267
収率 78.1%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40268
収率 88.7%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40269
DOI: 10.6084/m9.figshare.5104873.v1
反応 #40270
DOI: 10.6084/m9.figshare.5104873.v1
反応 #40271
収率 99.0%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40272
収率 31.3%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40273
収率 26.1%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40274
収率 84.0%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40275
収率 90.4%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40276
DOI: 10.6084/m9.figshare.5104873.v1
反応 #40277
DOI: 10.6084/m9.figshare.5104873.v1
反応 #40278
収率 90.9%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40279
収率 105.1%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40280
収率 63.0%DOI: 10.6084/m9.figshare.5104873.v1
反応 #40281
収率 92.4%DOI: 10.6084/m9.figshare.5104873.v1
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