Acetate → HCID 53897658, 화합물
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[CH3:1][C:2]([C:3](=[O:4])[CH2:5][Cl:6])([CH3:7])[NH:8][C:9]([c:10]1[cH:11][c:12]([Cl:17])[cH:13][c:14]([Cl:16])[cH:15]1)=[O:18].[CH3:20][C:21]([O-:22])=[O:23].[Na+:19].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[OH2:24]>>[CH3:1][C:2]([C:3](=[O:4])[CH2:5][O:23][C:21]([CH3:20])=[O:22])([CH3:7])[NH:8][C:9]([c:10]1[cH:11][c:12]([Cl:17])[cH:13][c:14]([Cl:16])[cH:15]1)=[O:18]참가 물질
6
출처 및 근거
- ORD 기록
- ord-38edf077d52d453985d9bd7f9d8c74ff
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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