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Hydrochloric Acid → 3-Oxo-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionic acid ethyl ester

HRID 146411
Notes
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Reaction equation

HRID 146411 reaction equation
[CH2:46]([CH3:47])[O:48][C:49]([CH2:50][C:51]([N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1)=[O:58])=[O:59].[CH3:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH2:39][CH2:40][N:41]([CH3:42])[CH3:43].[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[ClH:44].[ClH:45].[F:20][C:21]([c:22]1[c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29][cH:30]1)([F:31])[F:32].[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>>[F:20][C:21]([c:22]1[c:23]([C:24](=[O:26])[N:55]2[CH2:54][CH2:53][N:52]([C:51]([CH2:50][C:49]([O:48][CH2:46][CH3:47])=[O:59])=[O:58])[CH2:57][CH2:56]2)[cH:27][cH:28][cH:29][cH:30]1)([F:31])[F:32]
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 98992-(Trifluoromethyl)benzoic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531Diisopropylethylamine
HCID 22120206Ethyl I(2)-oxo-1-piperazinepropanoate

Product 1

HCID 578758243-Oxo-3-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-propionic acid ethyl ester

Sources & evidence

ORD record
ord-707f1adc5dd64f8b8ee1592f8c7dff34
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes