Potassium Cation → (3-{5-[1-(2-morpholin-4-ylethyl)-1H-pyrazol-4-yl]pyrimidin-2-yl}phenyl)methanol

HRID 2134369Notes

Reaction equation

HRID 2134369 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5](-[c:8]2[cH:9][c:10]([CH2:14][OH:15])[cH:11][cH:12][cH:13]2)[n:6][cH:7]1.[CH3:16][C:17]1([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22][B:23]([c:24]2[cH:25][n:26][n:27]([CH2:29][CH2:30][N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[cH:28]2)[O:37]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[K+:46].[K+:47].[K+:48].[OH2:38].[OH2:39].[OH2:40].[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[c:2]1(-[c:24]2[cH:25][n:26][n:27]([CH2:29][CH2:30][N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[cH:28]2)[cH:3][n:4][c:5](-[c:8]2[cH:9][c:10]([CH2:14][OH:15])[cH:11][cH:12][cH:13]2)[n:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962Water3×HCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 177499241-(2-Morpholinoethyl)-1H-pyrazole-4-boronic acid pinacol esterHCID 59484879(3-(5-Bromopyrimidin-2-yl)phenyl)methanol

Product 1

HCID 58289705(3-{5-[1-(2-morpholin-4-ylethyl)-1H-pyrazol-4-yl]pyrimidin-2-yl}phenyl)methanol

Sources & evidence

ORD record
ord-eb14a0bbbef74fb8a90a215e51016974
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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