Hydrochloric Acid → 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

HRID 1216970Notes

Reaction equation

HRID 1216970 reaction equation
[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH3:54][c:55]1[c:56]([C:66](=[O:67])[OH:68])[cH:57][n:58][n:59]1-[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:10].[NH2:11][CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[NH:11]([CH2:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][N:18]([C:21]([c:22]2[c:23]([C:28]([F:29])([F:30])[F:31])[cH:24][cH:25][cH:26][cH:27]2)=[O:32])[CH2:19][CH2:20]1)[C:66]([c:56]1[c:55]([CH3:54])[n:59](-[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[n:58][cH:57]1)=[O:67]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 1452215-Methyl-1-phenylpyrazole-4-carboxylic acidHCID 595596292-Amino-1-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethanone

Product 1

HCID 251665015-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-bbd937d2a3a34ca1af39df8e0c361cba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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