Imidazole → Y-20811 free acid

HRID 95871Notes

Reaction equation

HRID 95871 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][c:2]1[c:3]([CH:12]([OH:13])[c:14]2[c:15]([CH3:21])[cH:16][cH:17][c:18]([I:20])[cH:19]2)[c:4]([CH3:11])[cH:5][c:6]([C:8](=[O:9])[OH:10])[cH:7]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cu:35].[F-:33].[K+:31].[K+:32].[K+:34].[OH2:36].[nH:22]1[cH:23][n:24][cH:25][cH:26]1>>[CH3:1][c:2]1[c:3]([CH:12]([OH:13])[c:14]2[c:15]([CH3:21])[cH:16][cH:17][c:18](-[n:22]3[cH:23][n:24][cH:25][cH:26]3)[cH:19]2)[c:4]([CH3:11])[cH:5][c:6]([C:8](=[O:9])[OH:10])[cH:7]1

Participants

9

Reactant 8

HCID 795ImidazoleHCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 23978CopperHCID 28179Fluoride IonHCID 20206231alpha-(2,6-Dimethyl-4-carboxyphenyl)-2-methyl-5-iodobenzenemethanol

Product 1

HCID 121911Y-20811 free acid

Sources & evidence

ORD record
ord-465bcb401c724a87983c8c93af5bceef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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