3,5-Dimethyl-4-hydroxybenzonitrile → 4-[2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-(4,4-difluoro-cyclohexyl)-ethoxy]-3,5-dimethyl-benzonitrile

HRID 1562856Notes

Reaction equation

HRID 1562856 reaction equation
[CH3:30][c:31]1[cH:32][c:33]([C:34]#[N:35])[cH:36][c:37]([CH3:40])[c:38]1[OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][OH:15])[CH:16]2[CH2:17][CH2:18][C:19]([F:22])([F:23])[CH2:20][CH2:21]2)[cH:24][c:25]([F:29])[c:26]([F:28])[cH:27]3)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[c:11]([n:12]2[CH:13]([CH2:14][O:15][c:38]2[c:31]([CH3:30])[cH:32][c:33]([C:34]#[N:35])[cH:36][c:37]2[CH3:40])[CH:16]2[CH2:17][CH2:18][C:19]([F:22])([F:23])[CH2:20][CH2:21]2)[cH:24][c:25]([F:29])[c:26]([F:28])[cH:27]3)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 201763,5-Dimethyl-4-hydroxybenzonitrileHCID 666192272-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-(4,4-difluoro-cyclohexyl)-ethanol

Product 1

HCID 666195364-[2-[2-(4-Chloro-phenyl)-5,6-difluoro-benzoimidazol-1-yl]-2-(4,4-difluoro-cyclohexyl)-ethoxy]-3,5-dimethyl-benzonitrile

Sources & evidence

ORD record
ord-40cb0061d388409fa7d3c995673196b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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