Hydrochloric Acid → 3-[4-(2-bromo-benzoyl)-piperazin-1-yl]-3-oxo-N-(3-phenyl-isoxazol-5-yl)-propionamide
Reaction equation
[Br:39][c:40]1[c:41]([C:46](=[O:47])[N:48]2[CH2:49][CH2:50][NH:51][CH2:52][CH2:53]2)[cH:42][cH:43][cH:44][cH:45]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:38].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:59].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[n:17][o:18][c:19]([NH:21][C:22]([CH2:23][C:24](=[O:25])[OH:26])=[O:27])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[n:17][o:18][c:19]([NH:21][C:22]([CH2:23][C:24](=[O:26])[N:51]3[CH2:50][CH2:49][N:48]([C:46]([c:41]4[c:40]([Br:39])[cH:45][cH:44][cH:43][cH:42]4)=[O:47])[CH2:53][CH2:52]3)=[O:27])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e42084d9b83845cba65a3e189c1f53dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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