Acetic Acid → 4-benzyl-2-methylphenol
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[BrH:17].[C:18](=[O:19])([O-:20])[OH:21].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH3:16])[c:11]([O:14][CH3:15])[cH:12][cH:13]1.[CH3:23][C:24](=[O:25])[OH:26].[Na+:22]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][c:10]([CH3:16])[c:11]([OH:14])[cH:12][cH:13]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-f1675ee918f14dc3af5e3d2c45f8699f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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