Potassium Cation → 4-(4-Bromophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylmethoxypyrazole

HRID 2346100Notes

Reaction equation

HRID 2346100 reaction equation
[Br:25][c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[CH2:43]([CH2:44][O:45][CH3:46])[O:47][CH3:48].[K+:40].[K+:41].[K+:42].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[c:1]1([CH3:24])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[n:11][c:12]([O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:13]([I:15])[cH:14]2)[cH:5][cH:6]1>>[c:1]1([CH3:24])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[n:10]2[n:11][c:12]([O:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:13](-[c:29]3[cH:28][cH:27][c:26]([Br:25])[cH:31][cH:30]3)[cH:14]2)[cH:5][cH:6]1

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 79599(4-Bromophenyl)boronic acidHCID 674612174-Iodo-1-(4-methylphenyl)sulfonyl-3-phenylmethoxypyrazole

Product 1

HCID 670141134-(4-Bromophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylmethoxypyrazole

Sources & evidence

ORD record
ord-b359361c21454e65a95bb6ee7c4d4712
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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