Isopropanol → 6-Methyl-5-nitro-N-(3-(trifluoromethyl)phenyl)isoquinolin-l-amine
반응식
[CH:27]([OH:28])([CH3:29])[CH3:30].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]2[c:7]([N+:13](=[O:14])[O-:15])[c:8]([CH3:12])[cH:9][cH:10][c:11]12.[F:16][C:17]([c:18]1[cH:19][c:20]([NH2:24])[cH:21][cH:22][cH:23]1)([F:25])[F:26]>>[c:2]1([NH:24][c:20]2[cH:19][c:18]([C:17]([F:16])([F:25])[F:26])[cH:23][cH:22][cH:21]2)[n:3][cH:4][cH:5][c:6]2[c:7]([N+:13](=[O:14])[O-:15])[c:8]([CH3:12])[cH:9][cH:10][c:11]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-916f6cf097454e31b60e606fd0703680
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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