Dimethyl Sulfoxide → 4-Methyl-2-(2-nitro-phenylamino)-benzonitrile

HRID 100903

Reaction equation

[CH3:24][S:25]([CH3:26])=[O:27].[F:1][c:2]1[c:3]([N+:8](=[O:9])[O-:10])[cH:4][cH:5][cH:6][cH:7]1.[Li+:23].[NH2:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][cH:17][c:18]([CH3:20])[cH:19]1.[OH-:22].[OH2:21]>>[c:2]1([NH:11][c:12]2[c:13]([C:14]#[N:15])[cH:16][cH:17][c:18]([CH3:20])[cH:19]2)[c:3]([N+:8](=[O:9])[O-:10])[cH:4][cH:5][cH:6][cH:7]1

Participants

Reactant 6

HCID 679Dimethyl Sulfoxide

HCID 961Hydroxide

HCID 962Water

HCID 28486Lithium ion

HCID 738951-Fluoro-2-nitrobenzene

HCID 28012762-Amino-4-methylbenzonitrile

Product 1

HCID 210935294-Methyl-2-(2-nitro-phenylamino)-benzonitrile

Sources & evidence

ORD record: ord-9acb3db9f57f4a10abbf799e3f6f0a19
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

Loading…