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

HRID 1208176Notes

Reaction equation

HRID 1208176 reaction equation
[Br:1][c:2]1[s:3][c:4]([CH3:18])[c:5]([CH2:7][n:8]2[n:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]2)[n:6]1.[CH2:40]([OH:41])[CH3:42].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:19][c:20]1[cH:21][c:22]([B:30]([OH:31])[OH:32])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:39]>>[c:2]1(-[c:22]2[cH:21][c:20]([Cl:19])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]2)[s:3][c:4]([CH3:18])[c:5]([CH2:7][n:8]2[n:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]2)[n:6]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 177502373-Chloro-5-(trifluoromethyl)benzeneboronic acidHCID 58127672ethyl 1-[(2-bromo-5-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxylate

Product 1

HCID 66939532ethyl 1-({2-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,3-thiazol-4-yl}methyl)-1H-pyrazole-4-carboxylate

Sources & evidence

ORD record
ord-0ab3388fb04840a8b8507ae273daea74
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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