Ethanol → 1,1,1-Trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-4-methyl-2-{[(phenylmethyl)amino]methyl}-2-pentanol
반응식
[CH3:29][CH2:30][OH:31].[F:9][c:10]1[cH:11][cH:12][c:13]([O:27][CH3:28])[c:14]([C:16]([CH2:17][C:18]2([C:21]([F:22])([F:23])[F:24])[O:19][CH2:20]2)([CH3:25])[CH3:26])[cH:15]1.[NH2:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:20][C:18]([CH2:17][C:16]([c:14]1[c:13]([O:27][CH3:28])[cH:12][cH:11][c:10]([F:9])[cH:15]1)([CH3:25])[CH3:26])([OH:19])[C:21]([F:22])([F:23])[F:24]참가 물질
4
출처 및 근거
- ORD 기록
- ord-42c4167b436649dd86de2dc3d851f099
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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