Methanol → N-(4-(2-amino-2-methylpropoxy)-3-(4-chloro-2-methyl-2H-pyrazol-3-yl)phenyl)-3-(trifluoromethyl)benzamide
반응식
[CH3:1][C:2](=[O:3])[Cl:4].[CH3:39][OH:40].[N+:5]([O-:6])(=[O:7])[C:8]([CH2:9][O:10][c:11]1[c:12](-[c:30]2[n:31]([CH3:36])[n:32][cH:33][c:34]2[Cl:35])[cH:13][c:14]([NH:17][C:18]([c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)=[O:29])[cH:15][cH:16]1)([CH3:37])[CH3:38].[Zn:41]>>[NH2:5][C:8]([CH2:9][O:10][c:11]1[c:12](-[c:30]2[n:31]([CH3:36])[n:32][cH:33][c:34]2[Cl:35])[cH:13][c:14]([NH:17][C:18]([c:19]2[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]2)=[O:29])[cH:15][cH:16]1)([CH3:37])[CH3:38]참가 물질
5
출처 및 근거
- ORD 기록
- ord-49209122455f43f898100c2dda314385
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
- DOI