Ethanol → 6-methyl-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
반응식
[CH3:1][c:2]1[c:3]([N+:23]([O-:24])=[O:25])[c:4]2[cH:5][cH:6][n:7][c:8]([NH:12][c:13]3[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[c:9]2[cH:10][cH:11]1.[CH3:26][CH2:27][OH:28]>>[CH3:1][c:2]1[c:3]([NH2:23])[c:4]2[cH:5][cH:6][n:7][c:8]([NH:12][c:13]3[cH:14][c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[c:9]2[cH:10][cH:11]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-7039bc239756438580003d63bc5f1633
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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