Chloride → 3-Acetyl-2-hydroxy-5-methylbenzoic acid
반응식
[Al+3:6].[CH3:1][C:2]([Cl:3])=[O:4].[CH3:23][CH2:24][O:25][CH2:26][CH3:27].[CH3:9][c:10]1[cH:11][cH:12][c:13]([OH:19])[c:14]([C:15](=[O:16])[OH:17])[cH:18]1.[Cl-:5].[Cl-:7].[Cl-:8].[Cl:20][CH2:21][Cl:22]>>[CH3:1][C:2](=[O:4])[c:12]1[cH:11][c:10]([CH3:9])[cH:18][c:14]([C:15](=[O:16])[OH:17])[c:13]1[OH:19]참가 물질
7
출처 및 근거
- ORD 기록
- ord-3a9af9bc540347aea115d95f2ea7f0db
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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