O-Xylene → 5-Tert-butyl-2'-methyl-4'-nitrosalicylanilide

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([OH:14])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[CH3:15][c:16]1[c:17]([NH2:18])[cH:19][cH:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]1.[Cl:26][P:27]([Cl:28])[Cl:29].[c:30]1([CH3:31])[c:32]([CH3:33])[cH:34][cH:35][cH:36][cH:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([OH:14])[c:9]([C:10](=[O:12])[NH:18][c:17]2[c:16]([CH3:15])[cH:22][c:21]([N+:23](=[O:24])[O-:25])[cH:20][cH:19]2)[cH:13]1

Participants

Reactant 4

HCID 7237O-Xylene

HCID 74412-Methyl-4-nitroaniline

HCID 24387Phosphorus trichloride

HCID 852815-(1,1-Dimethylethyl)-2-hydroxybenzoic acid

Product 1

HCID 130256755-Tert-butyl-2'-methyl-4'-nitrosalicylanilide

Sources & evidence

ORD record: ord-5d2b775819a14e54b1d2e30f52bc7fee
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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