Hydrochloric Acid → 3-[4-(2-Bromo-benzoyl)-piperazin-1-yl]-3-oxo-propionic acid tert-butyl ester
Reaction equation
[Br:45][c:46]1[c:47]([C:52](=[O:53])[N:54]2[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]2)[cH:48][cH:49][cH:50][cH:51]1.[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[CH2:27][C:28](=[O:29])[O-:30].[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:43].[ClH:44].[Li+:31].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH2:65].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25](=[O:26])[CH2:27][C:28](=[O:30])[N:57]1[CH2:56][CH2:55][N:54]([C:52]([c:47]2[c:46]([Br:45])[cH:51][cH:50][cH:49][cH:48]2)=[O:53])[CH2:59][CH2:58]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-c66d0bee18fd4f749305162be4f30b14
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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