Water → 3-[4-(2-bromo-benzoyl)-piperazin-1-yl]-3-oxo-N-(4-thiophen-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].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:69].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1.[s:43]1[cH:44][c:45](-[c:48]2[cH:49][cH:50][c:51]([NH2:54])[cH:52][cH:53]2)[cH:46][cH:47]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:54][c:51]3[cH:50][cH:49][c:48](-[c:45]4[cH:44][s:43][cH:47][cH:46]4)[cH:53][cH:52]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-6518efdf2b204009835b9e96f3078491
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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