Sodium Ion → 2-(3,5-Dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane

Reaction equation

[C:25](=[O:26])([O-:27])[O-:28].[CH3:1][c:2]1[cH:3][c:4]([C:10]([CH3:11])([CH3:12])[c:13]2[cH:14][c:15]([CH3:21])[c:16]([OH:20])[c:17]([CH3:19])[cH:18]2)[cH:5][c:6]([CH3:9])[c:7]1[OH:8].[N:22]#[C:23][Cl:24].[Na+:29].[Na+:30].[OH2:31]>>[CH3:1][c:2]1[cH:3][c:4]([C:10]([CH3:11])([CH3:12])[c:13]2[cH:14][c:15]([CH3:21])[c:16]([OH:20])[c:17]([CH3:19])[cH:18]2)[cH:5][c:6]([CH3:9])[c:7]1[O:8][C:23]#[N:22]

Participants

Reactant 5

HCID 923Sodium Ion2×

HCID 962Water

HCID 10477Cyanogen Chloride

HCID 19660Carbonate Ion

HCID 797174,4'-Isopropylidenedi-2,6-xylol

Product 1

HCID 213958702-(3,5-Dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane

Sources & evidence

ORD record: ord-d32a6ef106ba4fd0acaadce55e640c87
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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