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Hydrochloric Acid → 3-[3-phenyl-1-[4-(4-trifluoromethylbenzylaminocarbonyl)benzyl]-1H-pyrazol-4-yl]propionic acid

HRID 296846
Notes
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Reaction equation

HRID 296846 reaction equation
[CH3:42][CH2:43][OH:44].[ClH:45].[Na+:41].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:40].[c:1]1(-[c:7]2[n:8][n:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[NH:28][CH2:29][c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:24][cH:25]3)[cH:10][c:11]2[CH2:12][CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][n:9]([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26](=[O:27])[NH:28][CH2:29][c:30]4[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]4)[cH:24][cH:25]3)[cH:10][c:11]2[CH2:12][CH2:13][C:14](=[O:15])[OH:16])[cH:2][cH:3][cH:4][cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 69424062ethyl 3-[3-phenyl-1-[4-(4-trifluoromethylbenzylaminocarbonyl)benzyl]-1H-pyrazol-4-yl]propionate

Product 1

HCID 69422706
3-[3-phenyl-1-[4-(4-trifluoromethylbenzylaminocarbonyl)benzyl]-1H-pyrazol-4-yl]propionic acid

Sources & evidence

ORD record
ord-cc8576c70f69419ab366731bb98cbc98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes