Acetic Acid → CID 53415045
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[CH3:26][C:27](=[O:28])[OH:29].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([CH:12]=[CH:13][c:14]2[cH:15][c:16]([O:24][CH3:25])[c:17]([O:22][CH3:23])[c:18]([O:20][CH3:21])[cH:19]2)[cH:7][cH:8][c:9]1[O:10][CH3:11].[Zn:30]>>[NH2:1][c:4]1[cH:5][c:6]([CH:12]=[CH:13][c:14]2[cH:15][c:16]([O:24][CH3:25])[c:17]([O:22][CH3:23])[c:18]([O:20][CH3:21])[cH:19]2)[cH:7][cH:8][c:9]1[O:10][CH3:11]참가 물질
4
출처 및 근거
- ORD 기록
- ord-b4947c396bc34e32aac943739d3f193d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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