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

HRID 1138393Notes

Reaction equation

HRID 1138393 reaction equation
[Br:12][c:13]1[cH:14][n:15][c:16](-[c:19]2[cH:20][c:21]([CH2:25][OH:26])[cH:22][cH:23][cH:24]2)[n:17][cH:18]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][n:37][n:38]([CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[cH:39]2)[O:48]1.[CH3:52][O:53][CH2:54][CH2:55][O:56][CH3:57].[Cl:49][CH2:50][Cl:51].[K+:10].[K+:11].[K+:9].[OH2:1].[OH2:2].[OH2:3].[OH2:58].[P:4]([O-:5])([O-:6])([O-:7])=[O:8]>>[c:13]1(-[c:35]2[cH:36][n:37][n:38]([CH2:40][CH2:41][N:42]3[CH2:43][CH2:44][O:45][CH2:46][CH2:47]3)[cH:39]2)[cH:14][n:15][c:16](-[c:19]2[cH:20][c:21]([CH2:25][OH:26])[cH:22][cH:23][cH:24]2)[n:17][cH:18]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962Water4×HCID 1061PhosphateHCID 6344DichloromethaneHCID 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-2f2d115563db44afa35d377a8686a716
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…