Acetonitrile → 2-(6,7-Dimethoxy-quinolin-4-ylsulfanyl)-5-fluoro-benzoic acid

HRID 2347760

Reaction equation

HRID 2347760 reaction equation
[CH3:27][C:28]#[N:29].[Cl:12][c:13]1[cH:14][cH:15][n:16][c:17]2[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][c:22]12.[F:1][c:2]1[cH:3][cH:4][c:5]([SH:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([S:11][c:13]2[cH:14][cH:15][n:16][c:17]3[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][c:22]23)[c:6]([C:7](=[O:8])[OH:9])[cH:10]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 4596104-Chloro-6,7-dimethoxyquinolineHCID 27833715-Fluoro-2-mercaptobenzoic acid

Product 1

HCID 230783772-(6,7-Dimethoxy-quinolin-4-ylsulfanyl)-5-fluoro-benzoic acid

Sources & evidence

ORD record
ord-d4a3207e0ee842b781215d6a6d3b0cce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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