Potassium Cation → Methyl 3,5-diethoxy-4-(1-methyl-1H-pyrazol-4-yl)benzoate

HRID 666778Notes

Reaction equation

HRID 666778 reaction equation
[Br:1][c:2]1[c:3]([O:15][CH2:16][CH3:17])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[O:12][CH2:13][CH3:14].[CH3:18][n:19]1[n:20][cH:21][c:22]([B:24]2[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]2)[cH:23]1.[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[K+:38].[K+:39].[K+:40].[OH2:41].[P:33]([O-:34])([O-:35])([O-:36])=[O:37]>>[c:2]1(-[c:22]2[cH:21][n:20][n:19]([CH3:18])[cH:23]2)[c:3]([O:15][CH2:16][CH3:17])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[O:12][CH2:13][CH3:14]

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 57930905Methyl 4-bromo-3,5-diethoxybenzoate

Product 1

HCID 57930985Methyl 3,5-diethoxy-4-(1-methyl-1H-pyrazol-4-yl)benzoate

Sources & evidence

ORD record
ord-d298fa24219d4a7a9b5e8bd8601311b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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