4-Tert-octylphenol → 2-[2-(4-Fluorophenyl)propan-2-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
반응식
[C:11]([CH3:12])([CH3:13])([CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]1[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]1.[F:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[CH2:7])[CH3:8])[cH:9][cH:10]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:6]([CH3:7])([CH3:8])[c:23]2[c:22]([OH:25])[cH:21][cH:20][c:19]([C:11]([CH3:12])([CH3:13])[CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:24]2)[cH:9][cH:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a62e5a212f6d4e449fdd66660cad0bf0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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