Water → 3-[4-(2-bromo-benzoyl)-piperazin-1-yl]-3-oxo-N-(4-pyridin-3-yl-phenyl)-propionamide
Reaction equation
[Br:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][N:9]([C:12]([CH2:13][C:14](=[O:15])[OH:16])=[O:17])[CH2:10][CH2:11]2)[cH:18][cH:19][cH:20][cH:21]1.[CH3:22][CH2:23][N:24]=[C:25]=[N:26][CH2:27][CH2:28][CH2:29][N:30]([CH3:31])[CH3:32].[CH3:56][N:57]([c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1)[CH3:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[n:43]1[cH:44][c:45](-[c:49]2[cH:50][cH:51][c:52]([NH2:55])[cH:53][cH:54]2)[cH:46][cH:47][cH:48]1>>[Br:1][c:2]1[c:3]([C:4](=[O:5])[N:6]2[CH2:7][CH2:8][N:9]([C:12]([CH2:13][C:14](=[O:16])[NH:55][c:52]3[cH:51][cH:50][c:49](-[c:45]4[cH:44][n:43][cH:48][cH:47][cH:46]4)[cH:54][cH:53]3)=[O:17])[CH2:10][CH2:11]2)[cH:18][cH:19][cH:20][cH:21]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-7c55d8291de14d398f6ed982a76f4b6c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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