Potassium Cation → 2-[2-(4-Chloro-2-methyl-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol

HRID 695759Notes

Reaction equation

HRID 695759 reaction equation
[Al+3:31].[C:36]([CH:37]([CH:38]([C:39]([O-:40])=[O:41])[OH:42])[OH:43])([O-:44])=[O:45].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][c:4]([CH3:29])[c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([C:14](=[O:15])[OH:16])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:23][c:24]([F:28])[c:25]([F:27])[cH:26]3)[cH:6][cH:7]1.[H-:30].[H-:33].[H-:34].[H-:35].[K+:46].[Li+:32].[Na+:47].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[Cl:1][c:2]1[cH:3][c:4]([CH3:29])[c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][OH:15])[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:23][c:24]([F:28])[c:25]([F:27])[cH:26]3)[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 813Potassium CationHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 38061142,3-DihydroxybutanedioateHCID 66619270[2-(4-Chloro-2-methyl-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-cyclohexyl-acetic acid

Product 1

HCID 666193272-[2-(4-Chloro-2-methyl-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-cyclohexyl-ethanol

Sources & evidence

ORD record
ord-6c8ec40e02754b41b1775e0c38171eda
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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