Acetic Acid → 2-Butyl-3,5-dimethylphenol
반응식
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[c:7]([OH:14])[cH:8][c:9]([CH3:13])[cH:10][c:11]1[CH3:12].[CH3:24][C:25](=[O:26])[OH:27].[Cl+3:15]([OH:16])([O-:17])([O-:18])[O-:19].[H:20][H:21].[Pt:22]=[O:23]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:6]1[c:7]([OH:14])[cH:8][c:9]([CH3:13])[cH:10][c:11]1[CH3:12]참가 물질
6
출처 및 근거
- ORD 기록
- ord-2658f79059164e888ac17a2cfc82daf2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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