Hydrochloric Acid → 5-Chloro-2-(3-hydroxyphenoxy)benzonitrile

HRID 95676

Reaction equation

HRID 95676 reaction equation
[CH3:22][S:23](=[O:24])[CH3:25].[Cl:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:20])[cH:18][cH:19]1.[ClH:21].[K+:10].[OH-:9].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]([OH:7])[cH:8]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][c:6]([OH:7])[cH:8]1)[c:12]1[c:13]([C:14]#[N:15])[cH:16][c:17]([Cl:20])[cH:18][cH:19]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 5054ResorcinolHCID 890002,5-Dichlorobenzonitrile

Product 1

HCID 204951765-Chloro-2-(3-hydroxyphenoxy)benzonitrile

Sources & evidence

ORD record
ord-0f148f93034349ce80ac62998487cffc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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