Isopropanol → tert-butyl N-[4-[(3-ethylphenyl)methylamino]-1-(3-fluoro-5-phenylmethoxyphenyl)-3-hydroxybutan-2-yl]carbamate
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][c:12]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:13][c:14]([F:16])[cH:15]1)[CH:25]1[O:26][CH2:27]1)=[O:28].[CH2:29]([CH3:30])[c:31]1[cH:32][c:33]([CH2:34][NH2:35])[cH:36][cH:37][cH:38]1.[CH:39]([OH:40])([CH3:41])[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][c:12]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:13][c:14]([F:16])[cH:15]1)[CH:25]([OH:26])[CH2:27][NH:35][CH2:34][c:33]1[cH:32][c:31]([CH2:29][CH3:30])[cH:38][cH:37][cH:36]1)=[O:28]참가 물질
4
출처 및 근거
- ORD 기록
- ord-a78c0d5eec474a63a24b4012a8b87ca7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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