Dimethylamine → Dimethyl-{3-[3-(4-trifluoromethyl-phenyl)-benzo[d]isothiazol-6-yl]-propyl}-amine
반응식
[CH3:28][NH:29][CH3:30].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([CH2:18][CH2:19][CH2:20][O:21][S:22]([CH3:23])(=[O:24])=[O:25])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][s:11][c:12]3[c:13]2[cH:14][cH:15][c:16]([CH2:18][CH2:19][CH2:20][N:29]([CH3:28])[CH3:30])[cH:17]3)[cH:7][cH:8]1)([F:26])[F:27]참가 물질
3
출처 및 근거
- ORD 기록
- ord-a9942d1739104fdcaac5b0845c95926a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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