Chloride → 2-Chloro-6-methylbenzonitrile
반응식
[C-:5]#[N:6].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl-:4].[Cl:8][c:9]1[cH:10][cH:11][cH:12][c:13]([CH3:16])[c:14]1[NH2:15].[ClH:7].[N:17]([O-:18])=[O:19].[Na+:20].[Na+:21].[Na+:22].[Na:1][C:2]#[N:3].[O-:23][C:24](=[O:25])[O-:26].[OH2:27]>>[C:2](#[N:3])[c:14]1[c:9]([Cl:8])[cH:10][cH:11][cH:12][c:13]1[CH3:16]참가 물질
11
출처 및 근거
- ORD 기록
- ord-ea10b5eb72704d1c898486b5ed1d556e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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