Methanol → 2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
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[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([N+:18]([O-:19])=[O:20])[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[CH2:6][CH2:7]1.[CH3:21][OH:22]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([NH2:18])[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]2)[CH2:6][CH2:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-b1562078a8e943298156e89297c4eddf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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