N-tert-butyl-2,4-dimethylbenzamide → tert-butyl N-[4-[2-(tert-butylcarbamoyl)-5-methylphenyl]-3-oxo-1-(2,4,5-trifluorophenyl)butan-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[c:11]([F:18])[cH:12][c:13]([F:17])[c:14]([F:16])[cH:15]1)[C:19]([N:20]([O:21][CH3:22])[CH3:23])=[O:24])=[O:25].[C:26]([CH3:27])([CH3:28])([CH3:29])[NH:30][C:31]([c:32]1[c:33]([CH3:39])[cH:34][c:35]([CH3:38])[cH:36][cH:37]1)=[O:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[c:11]([F:18])[cH:12][c:13]([F:17])[c:14]([F:16])[cH:15]1)[C:19](=[O:24])[CH2:39][c:33]1[c:32]([C:31]([NH:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:40])[cH:37][cH:36][c:35]([CH3:38])[cH:34]1)=[O:25]참가 물질
3
출처 및 근거
- ORD 기록
- ord-baf1447b48ba46fb9b0b1ed1319018a1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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