Hydrochloric Acid → 1-phenyl-1H-pyrazole-4-carboxylic acid {2-[4-(5-fluoro-2-trifluoromethyl-benzoyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
Reaction equation
[CH3:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:45].[NH2:46][CH2:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][N:53]([C:56]([c:57]2[c:58]([C:64]([F:65])([F:66])[F:67])[cH:59][cH:60][c:61]([F:63])[cH:62]2)=[O:68])[CH2:54][CH2:55]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:24][n:25]1[c:26]2[c:27]([cH:28][cH:29][cH:30][cH:31]2)[n:32][n:33]1.[c:10]1(-[n:16]2[n:17][cH:18][c:19]([C:21](=[O:22])[OH:23])[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[n:16]2[n:17][cH:18][c:19]([C:21](=[O:23])[NH:46][CH2:47][C:48](=[O:49])[N:50]3[CH2:51][CH2:52][N:53]([C:56]([c:57]4[c:58]([C:64]([F:65])([F:66])[F:67])[cH:59][cH:60][c:61]([F:63])[cH:62]4)=[O:68])[CH2:54][CH2:55]3)[cH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1Participants
9
Reactant 8
HCID 313Hydrochloric Acid
HCID 962Water
HCID 6228Dimethylformamide
HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 757711-Hydroxybenzotriazole
HCID 81531Diisopropylethylamine
HCID 1210261-phenyl-1H-pyrazole-4-carboxylic acid
HCID 595595982-Amino-1-[4-(2-trifluoromethyl-5-fluoro-benzoyl)-piperazin-1-yl]-ethanoneProduct 1
Sources & evidence
- ORD record
- ord-51251bdaec334fe78efcce036e75a63d
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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