Sodium ion → 3-[3-(Trifluoromethyl)phenyl]propan-1-amine
반응식
[Al+3:17].[CH2:30]1[O:31][CH2:32][CH2:33][CH2:34]1.[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:9][CH2:10][C:11](=[O:12])[NH2:13])[cH:6][cH:7][cH:8]1)([F:14])[F:15].[H-:16].[H-:19].[H-:20].[H-:21].[Li+:18].[Na+:29].[OH-:28]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:9][CH2:10][CH2:11][NH2:13])[cH:6][cH:7][cH:8]1)([F:14])[F:15]참가 물질
9
출처 및 근거
- ORD 기록
- ord-81d97b2ec8154691a06a4f83ac2f5b62
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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