Hydrochloric Acid → 3-[4-(2-bromo-benzoyl)-piperazin-1-yl]-N-[5-(4-fluoro-phenyl)-isoxazol-3-yl]-3-oxo-propionamide
Reaction equation
[Br:51][c:52]1[c:53]([C:58](=[O:59])[N:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:54][cH:55][cH:56][cH:57]1.[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:50].[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([NH:22][C:23]([CH2:24][C:25](=[O:26])[OH:27])=[O:28])[n:20][o:21]2)[cH:15][cH:16]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH:40][n:41]1[c:42]2[c:43]([cH:44][cH:45][cH:46][cH:47]2)[n:48][n:49]1>>[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([NH:22][C:23]([CH2:24][C:25](=[O:27])[N:63]3[CH2:62][CH2:61][N:60]([C:58]([c:53]4[c:52]([Br:51])[cH:57][cH:56][cH:55][cH:54]4)=[O:59])[CH2:65][CH2:64]3)=[O:28])[n:20][o:21]2)[cH:15][cH:16]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-dd051fc201f8422d827aba15ba2622a7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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