Acetate → 4-Chloro-nicotinonitrile
반응식
[CH3:12][C:13](=[O:14])[O-:15].[CH3:33][CH2:34][OH:35].[NH3:10].[NH4+:11].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[OH:16][c:17]1[cH:18][cH:19][cH:20][cH:21][n:22]1.[OH:1][c:2]1[cH:3][cH:4][n:5][cH:6][c:7]1[C:8]#[N:9].[P:23]([Cl:24])([Cl:25])([Cl:26])=[O:27]>>[c:2]1([Cl:25])[cH:3][cH:4][n:5][cH:6][c:7]1[C:8]#[N:9]참가 물질
9
출처 및 근거
- ORD 기록
- ord-daf24ccd77d2401bb0ea8c3b879b11f6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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