Ethanol → HCID 178486715, 화합물
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[CH3:28][CH2:29][OH:30].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:22][CH2:23][C:24]#[N:25])[c:17]([O:20][CH3:21])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[Cl:8].[NH2:26][OH:27]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[n:11][cH:12][n:13][c:14]3[cH:15][c:16]([O:22][CH2:23][C:24](=[NH:25])[NH:26][OH:27])[c:17]([O:20][CH3:21])[cH:18][c:19]23)[cH:5][cH:6][c:7]1[Cl:8]참가 물질
4
출처 및 근거
- ORD 기록
- ord-b316ef95713c46f49b665eda48181a04
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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