Water → (2-Methyl-3-nitrophenyl)acetonitrile
반응식
[CH3:1][S:2]([O:3][CH2:6][c:7]1[c:8]([CH3:16])[c:9]([N+:13](=[O:14])[O-:15])[cH:10][cH:11][cH:12]1)(=[O:4])=[O:5].[CH3:20][C:21]#[N:22].[Na:17][C:18]#[N:19].[OH2:23]>>[CH2:6]([c:7]1[c:8]([CH3:16])[c:9]([N+:13](=[O:14])[O-:15])[cH:10][cH:11][cH:12]1)[C:18]#[N:19]참가 물질
5
출처 및 근거
- ORD 기록
- ord-89b101a448094fccac5a3f73c9a2f47d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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