Methanol → 5-methyl-2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]hexahydro-1H-1,4-diazepin-1-yl}aniline
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[CH3:1][c:2]1[c:3]([N:13]2[CH2:14][CH2:15][N:16]([CH2:20][CH2:21][S:22](=[O:23])(=[O:24])[CH3:25])[CH2:17][CH2:18][CH2:19]2)[cH:4][c:5]([O:11][CH3:12])[c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[CH3:26][CH2:27][O:28][C:29]([CH3:30])=[O:31].[CH3:32][OH:33]>>[CH3:1][c:2]1[c:3]([N:13]2[CH2:14][CH2:15][N:16]([CH2:20][CH2:21][S:22](=[O:23])(=[O:24])[CH3:25])[CH2:17][CH2:18][CH2:19]2)[cH:4][c:5]([O:11][CH3:12])[c:6]([NH2:8])[cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-660f2961805845cd8ad66f01da433a55
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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