Acetic Acid → 3-Chloro-4-hydroxy-benzoic acid 2-methyl-butyl ester
반응식
[CH3:20][C:21](=[O:22])[OH:23].[CH3:5][CH:6]([CH2:7][O:8][C:9]([c:10]1[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]1)=[O:17])[CH2:18][CH3:19].[Cl:1][NH:2][Cl:3].[ClH:4]>>[Cl:4][c:14]1[c:13]([OH:16])[cH:12][cH:11][c:10]([C:9]([O:8][CH2:7][CH:6]([CH3:5])[CH2:18][CH3:19])=[O:17])[cH:15]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-101a7e6f90a240e6a553db75e597c717
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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