Hydrochloric Acid → 5-Phenyl-pyridine-2-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

HRID 669461Notes

Reaction equation

HRID 669461 reaction equation
[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:50].[F:51][c:52]1[cH:53][cH:54][c:55]([C:66]([F:67])([F:68])[F:69])[c:56]([C:58](=[O:59])[N:60]2[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:57]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:10]1(-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[NH:24][CH2:25][C:26](=[O:27])[OH:28])[n:20][cH:21]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[NH:24][CH2:25][C:26](=[O:28])[N:63]3[CH2:62][CH2:61][N:60]([C:58]([c:56]4[c:55]([C:66]([F:67])([F:68])[F:69])[cH:54][cH:53][c:52]([F:51])[cH:57]4)=[O:59])[CH2:65][CH2:64]3)[n:20][cH:21]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 57874442[(5-Phenyl-pyridine-2-carbonyl)-amino]-acetic acidHCID 57875818(5-Fluoro-2-trifluoromethylphenyl)piperazin-1-ylmethanone

Product 1

HCID 251653285-Phenyl-pyridine-2-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide

Sources & evidence

ORD record
ord-aa99d6ace0804f53921754549e79921a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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