Pyridine → 2,2-dimethyl-N-(5-phenylethynyl-pyridin-2-yl)-propionamide
반응식
[C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])(=[O:27])[Cl:28].[Cl:29][CH2:30][Cl:31].[c:1]1([C:7]#[C:8][c:9]2[cH:10][cH:11][c:12]([NH2:15])[n:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:16]1[cH:17][cH:18][n:19][cH:20][cH:21]1>>[c:1]1([C:7]#[C:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:22]([C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[n:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-213de32770d6480eab47b42cffa207d8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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