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Ethanol → 1-({2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxylic acid

HRID 196153
Notes
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Reaction equation

HRID 196153 reaction equation
[CH2:37]([OH:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14]([CH3:28])[c:15]([CH2:17][n:18]3[n:19][cH:20][c:21]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:22]3)[n:16]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:30].[O:32]1[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH-:29].[OH2:31]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[s:13][c:14]([CH3:28])[c:15]([CH2:17][n:18]3[n:19][cH:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]3)[n:16]2)[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 66939532ethyl 1-({2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxylate

Product 1

HCID 44251686
1-({2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxylic acid

Sources & evidence

ORD record
ord-2af926222147407188befc9cf69380fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes