Hydrochloric Acid → 2-[4-(Methylsulfonyl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine
반응식
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]3[c:19]([cH:20]2)[CH2:18][CH2:17][N:16]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:15][CH2:14]3)[cH:9][cH:10]1.[CH3:35][OH:36].[ClH:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]3[c:19]([cH:20]2)[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)[cH:9][cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-7695b0a6c81d4aae9a29f007c080071e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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