Methanesulfonyl chloride → N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-4-(methanesulfonylamino)methyl-N-(2-methoxyphenyl)benzamide
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[CH3:37][S:38]([Cl:39])(=[O:40])=[O:41].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([c:10]2[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]2)[CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH:23]([C:26]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)=[O:34])[CH2:24][CH2:25]2)[cH:35][cH:36]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([c:10]2[c:11]([O:16][CH3:17])[cH:12][cH:13][cH:14][cH:15]2)[CH2:18][CH2:19][N:20]2[CH2:21][CH2:22][CH:23]([C:26]([c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)=[O:34])[CH2:24][CH2:25]2)[cH:35][cH:36]1)[S:38]([CH3:37])(=[O:40])=[O:41]참가 물질
3
출처 및 근거
- ORD 기록
- ord-c611478a1f874066a289e069f81575e3
- 출처 데이터셋
- Test data from https://doi.org/10.1039/C8SC04228D
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