Benzoic Acid → 3-Oxobutan-2-yl benzoate
반응식
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:23][C:24]#[N:25].[Cl:1][CH:2]([C:3]([CH3:4])=[O:5])[CH3:6].[OH:7][C:8](=[O:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[CH:2]([C:3]([CH3:4])=[O:5])([CH3:6])[O:9][C:8](=[O:7])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-faf3f1e5e4bc4f63a6b3cae718637b6b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
반응 노트
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