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Water → 5-phenyl-1H-pyrazole-3-carboxylic acid {2-oxo-2-[3-(3-trifluoromethyl-phenoxy)-pyrrolidin-1-yl]-ethyl}-amide

HRID 697442
Notes
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Reaction equation

HRID 697442 reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[F:49][C:50]([c:51]1[cH:52][c:53]([O:54][CH:55]2[CH2:56][NH:57][CH2:58][CH2:59]2)[cH:60][cH:61][cH:62]1)([F:63])[F:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:26])[OH:27])[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[c:10]1(-[c:16]2[cH:17][c:18]([C:21](=[O:22])[NH:23][CH2:24][C:25](=[O:27])[N:57]3[CH2:56][CH:55]([O:54][c:53]4[cH:52][c:51]([C:50]([F:49])([F:63])[F:64])[cH:62][cH:61][cH:60]4)[CH2:59][CH2:58]3)[n:19][nH:20]2)[cH:11][cH:12][cH:13][cH:14][cH:15]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 183371713-[3-(Trifluoromethyl)phenoxy]pyrrolidineHCID 178525878
HCID 178525878, compound

Product 1

HCID 1785235045-phenyl-1H-pyrazole-3-carboxylic acid {2-oxo-2-[3-(3-trifluoromethyl-phenoxy)-pyrrolidin-1-yl]-ethyl}-amide

Sources & evidence

ORD record
ord-8d0bdc9ca08f420e86141f89d84a30fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes