Potassium Cation → HCID 46178510, compound

HRID 1207082Notes

Reaction equation

HRID 1207082 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14](-[c:18]3[n:19][cH:20][c:21]([O:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][O:30][CH2:31][CH2:32]4)[cH:22][n:23]3)[cH:15][cH:16][cH:17]1)[n:9][n:10]2.[CH3:44][n:45]1[n:46][cH:47][c:48]([B:50]2[O:51][C:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[O:58]2)[cH:49]1.[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[K+:41].[K+:42].[K+:43].[OH2:33].[OH2:34].[OH2:35].[P:36]([O-:37])([O-:38])([O-:39])=[O:40]>>[c:2]1(-[c:48]2[cH:47][n:46][n:45]([CH3:44])[cH:49]2)[cH:3][n:4][c:5]2[c:6]([n:7]1)[n:8]([CH2:11][c:12]1[cH:13][c:14](-[c:18]3[n:19][cH:20][c:21]([O:24][CH2:25][CH2:26][N:27]4[CH2:28][CH2:29][O:30][CH2:31][CH2:32]4)[cH:22][n:23]3)[cH:15][cH:16][cH:17]1)[n:9][n:10]2

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962Water3×HCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 27739871-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 58289697HCID 58289697, compound

Product 1

HCID 46178510HCID 46178510, compound

Sources & evidence

ORD record
ord-a04c42092b8b477cb9bf4b1810665cb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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