Ammonia → 2-Amino-2-methyl-4-(2-trifluoromethylphenyl)butyronitrile
반응식
[CH3:22][CH2:23][OH:24].[Cl-:19].[F:1][C:2]([c:3]1[c:4]([CH2:9][CH2:10][C:11]([CH3:12])=[O:13])[cH:5][cH:6][cH:7][cH:8]1)([F:14])[F:15].[NH3:21].[NH4+:20].[Na:16][C:17]#[N:18]>>[F:1][C:2]([c:3]1[c:4]([CH2:9][CH2:10][C:11]([CH3:12])([C:17]#[N:18])[NH2:20])[cH:5][cH:6][cH:7][cH:8]1)([F:14])[F:15]참가 물질
7
출처 및 근거
- ORD 기록
- ord-9f0055b5fc68422f86472c12757c4450
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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