4-(3-Chloro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal → 2-Amino-5-{[6-chloro-4,4-dimethyl-2-hydroxy-5-methoxy-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-8-fluoro-quinoline
반응식
[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:5][cH:6][cH:7]1.[NH2:22][c:23]1[n:24][c:25]2[c:26]([F:34])[cH:27][cH:28][c:29]([NH2:33])[c:30]2[cH:31][cH:32]1>>[Cl:1][c:2]1[c:3]([O:20][CH3:21])[c:4]2[c:5]([cH:6][cH:7]1)[CH:11]([NH:33][c:29]1[cH:28][cH:27][c:26]([F:34])[c:25]3[n:24][c:23]([NH2:22])[cH:32][cH:31][c:30]31)[C:10]([C:13]([F:14])([F:15])[F:16])([OH:17])[CH2:9][C:8]2([CH3:18])[CH3:19]참가 물질
3
출처 및 근거
- ORD 기록
- ord-602eb07dbb524a92b3c0562729ff417a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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