Hydrochloric Acid → 2,6-Di-t-butyl-4-(3'-cyano-4'-nitrophenyl)phenol

Reaction equation

[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[c:19]([OH:28])[c:20]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:21][cH:22][cH:23]1.[C:3](#[N:4])[c:5]1[c:6]([N+:11](=[O:12])[O-:13])[cH:7][cH:8][cH:9][cH:10]1.[CH3:30][S:31]([CH3:32])=[O:33].[ClH:29].[Na+:2].[OH-:1]>>[C:3](#[N:4])[c:5]1[c:6]([N+:11](=[O:12])[O-:13])[cH:7][cH:8][c:9](-[c:22]2[cH:21][c:20]([C:24]([CH3:25])([CH3:26])[CH3:27])[c:19]([OH:28])[c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:23]2)[cH:10]1

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 679Dimethyl Sulfoxide

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 11922o-Nitrobenzonitrile

HCID 314052,6-Di-tert-butylphenol

Product 1

HCID 13466717

Sources & evidence

ORD record: ord-2d5d7e938fd14ab78330c1080815157b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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