Ethanol → 2,6-Dimethyl-4'-(trifluoromethyl)biphenyl-4-amine
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[CH3:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[c:4]([CH3:11])[cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[CH3:22][CH2:23][OH:24]>>[CH3:1][c:2]1[c:3](-[c:12]2[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[c:4]([CH3:11])[cH:5][c:6]([NH2:8])[cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-162156b5c931456bb2adb35c699989ef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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