Imidazole → alpha-(2,6-Dimethyl-4-carboxyphenyl)-2-chloro-5-(1-imidazolyl)benzenemethanol

HRID 1145373Notes

Reaction equation

HRID 1145373 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]([Cl: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]([Cl: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 13851128alpha-(2,6-Dimethyl-4-carboxyphenyl)-2-chloro-5-iodobenzenemethanol

Product 1

HCID 13851129alpha-(2,6-Dimethyl-4-carboxyphenyl)-2-chloro-5-(1-imidazolyl)benzenemethanol

Sources & evidence

ORD record
ord-a19a0437515146a98e03030825f785ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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