Acetic Acid → HCID 20094336, 화합물
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[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([CH2:13][CH:14]([CH3:15])[Br:16])[cH:10][cH:11][c:12]21.[CH3:22][C:23](=[O:24])[OH:25].[OH2:21].[OH:17][N+:18]([O-:19])=[O:20]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][c:7]2[cH:8][c:9]([CH2:13][CH:14]([CH3:15])[Br:16])[cH:10][c:11]([N+:18](=[O:17])[O-:19])[c:12]21참가 물질
5
출처 및 근거
- ORD 기록
- ord-5e83de39f83f4748a7c9300d28dcc0a7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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