Ethanol → 2-Methoxy-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzenepropanoic acid
반응식
[CH3:1][O:2][c:3]1[c:4]([CH:19]=[CH:20][C:21](=[O:22])[OH:23])[cH:5][cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1.[CH3:24][CH2:25][OH:26]>>[CH3:1][O:2][c:3]1[c:4]([CH2:19][CH2:20][C:21](=[O:22])[OH:23])[cH:5][cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-294ddf6cf2b7421689114bcb2337f047
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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