Ethanol → 2-(3-(Propan-2-yloxy)phenyl)acetic acid
반응식
[CH2:21]([OH:22])[CH3:23].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([CH2:6][c:7]1[cH:8][c:9]([O:13][CH:14]([CH3:15])[CH3:16])[cH:10][cH:11][cH:12]1)=[O:17].[Na+:19].[OH-:18].[OH2:20]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][c:9]([O:13][CH:14]([CH3:15])[CH3:16])[cH:10][cH:11][cH:12]1)[OH:17]참가 물질
6
출처 및 근거
- ORD 기록
- ord-33ca4fb53752480d9fcd4f5531059bc5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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