Ethanol → 3-[4-Methoxy-3-(trifluoromethyl)phenyl]propionic acid
반응식
[CH3:18][CH2:19][OH:20].[CH3:1][O:2][c:3]1[c:4]([C:14]([F:15])([F:16])[F:17])[cH:5][c:6]([CH:9]=[CH:10][C:11](=[O:12])[OH:13])[cH:7][cH:8]1.[O:21]1[CH2:22][CH2:23][CH2:24][CH2:25]1>>[CH3:1][O:2][c:3]1[c:4]([C:14]([F:15])([F:16])[F:17])[cH:5][c:6]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:7][cH:8]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-7ca6c3f0c6b8498795afd3aae937162c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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