Hydrochloric Acid → 3-[4-(2-bromo-benzoyl)-piperazin-1-yl]-N-(4-morpholin-4-yl-phenyl)-3-oxo-propionamide

HRID 1568652Notes

Reaction equation

HRID 1568652 reaction equation
[Br:11][c:12]1[c:13]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([C:22]([CH2:23][C:24](=[O:25])[OH:26])=[O:27])[CH2:20][CH2:21]2)[cH:28][cH:29][cH:30][cH:31]1.[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:57][N:58]([c:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1)[CH3:65].[ClH:43].[O:44]1[CH2:45][CH2:46][N:47]([c:50]2[cH:51][cH:52][c:53]([NH2:56])[cH:54][cH:55]2)[CH2:48][CH2:49]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[Br:11][c:12]1[c:13]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([C:22]([CH2:23][C:24](=[O:26])[NH:56][c:53]3[cH:52][cH:51][c:50]([N:47]4[CH2:46][CH2:45][O:44][CH2:49][CH2:48]4)[cH:55][cH:54]3)=[O:27])[CH2:20][CH2:21]2)[cH:28][cH:29][cH:30][cH:31]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 75655Benzenamine, 4-(4-morpholinyl)-HCID 757711-HydroxybenzotriazoleHCID 578758013-[4-(2-Bromo-benzoyl)-piperazin-1-yl]-3-oxo-propionic acid

Product 1

HCID 442315613-[4-(2-bromo-benzoyl)-piperazin-1-yl]-N-(4-morpholin-4-yl-phenyl)-3-oxo-propionamide

Sources & evidence

ORD record
ord-f13dbd3f2b6c4b9fbf752d3e25e62d0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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