Acetate → 1-(2-Hydroxy-5-tetradecylphenyl)ethanone
반응식
[Al+3:29].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[c:15]1[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]1.[CH3:22][C:23]([O-:24])=[O:25].[CH:30]([Cl:31])([Cl:32])[Cl:33].[Cl-:26].[Cl-:27].[Cl-:28]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[c:15]1[cH:16][cH:17][c:18]([OH:21])[c:19]([C:23]([CH3:22])=[O:24])[cH:20]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a48bee3f7f374b91bbdc7d450b2157da
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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