Water → 2-Methylpyridine-3-carbonitrile
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[CH2:32]([Cl:33])[Cl:34].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[cH:7][cH:8][cH:9][n:10]1.[F:18][C:19]([F:20])([F:21])[C:22]([O:23][C:24](=[O:25])[C:26]([F:27])([F:28])[F:29])=[O:30].[OH2:31]>>[CH3:1][c:2]1[c:3]([C:4]#[N:6])[cH:7][cH:8][cH:9][n:10]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-31376c0a7c7b4c8a8fd3ed4b20b4023c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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