Acetate → 2-Hydroxy-3-methylbenzonitrile
반응식
[CH3:15][C:16](=[O:17])[O-:18].[CH:19]([OH:20])=[O:21].[ClH:11].[NH2:12][OH:13].[Na+:14].[OH:1][c:2]1[c:3]([CH:4]=[O:5])[cH:6][cH:7][cH:8][c:9]1[CH3:10]>>[OH:1][c:2]1[c:3]([C:4]#[N:12])[cH:6][cH:7][cH:8][c:9]1[CH3:10]참가 물질
7
출처 및 근거
- ORD 기록
- ord-14c01ba193ad4f29b3a4c3687ca4ce28
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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