Potassium Cation → (5-Chloro-3-quinolin-3-yl-pyrazolo[1,5-a]pyrimidin-7-yl)-bis-(2-trimethylsilanyl-ethoxymethyl)-amine

HRID 1572423Notes

Reaction equation

HRID 1572423 reaction equation
[BH:29]([OH:30])[OH:31].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:8]([CH2:9][O:10][CH2:11][CH2:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:7]1)[n:25][cH:26][c:27]2[I:28].[K+:47].[K+:48].[K+:49].[OH2:50].[OH2:57].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[n:32]1[cH:33][cH:34][cH:35][c:36]2[cH:37][cH:38][cH:39][cH:40][c:41]12>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:8]([CH2:9][O:10][CH2:11][CH2:12][Si:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:7]1)[n:25][cH:26][c:27]2-[c:34]1[cH:33][n:32][c:41]2[c:36]([cH:35]1)[cH:37][cH:38][cH:39][cH:40]2

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 7047QuinolineHCID 80711,2-DimethoxyethaneHCID 61668Boronic AcidHCID 772312185-chloro-3-iodo-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine

Product 1

HCID 86664780(5-Chloro-3-quinolin-3-yl-pyrazolo[1,5-a]pyrimidin-7-yl)-bis-(2-trimethylsilanyl-ethoxymethyl)-amine

Sources & evidence

ORD record
ord-8cd8b854c4764907b573ec5be89d2d15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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