Dimethyl Sulfoxide → Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-

HRID 1122424Notes

Reaction equation

HRID 1122424 reaction equation
[CH3:31][S:32]([CH3:33])=[O:34].[Cl:18][c:19]1[c:20]([C:21]#[N:22])[cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]1.[Na+:17].[OH-:16].[OH2:30].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15]1)[c:19]1[c:20]([C:21]#[N:22])[cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 143474-HydroxybenzophenoneHCID 855042-Chloro-5-nitrobenzonitrile

Product 1

HCID 514853Benzonitrile, 2-(4-benzoylphenoxy)-5-nitro-

Sources & evidence

ORD record
ord-cd4d4a9a32284191a02a1bfff5fed455
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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