Dimethyl Sulfoxide → Methyl 4-(2-nitropyridin-3-ylthio)benzoate

HRID 1115816Notes

Reaction equation

HRID 1115816 reaction equation
[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][S:29]([CH3:30])=[O:31].[Cl:12][c:13]1[c:14]([N+:19](=[O:20])[O-:21])[n:15][cH:16][cH:17][cH:18]1.[Cs+:26].[Cs+:27].[OH2:32].[SH:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1>>[S:1]([c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1)[c:13]1[c:14]([N+:19](=[O:20])[O-:21])[n:15][cH:16][cH:17][cH:18]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 237573Methyl 4-sulfanylbenzoateHCID 5549883-Chloro-2-nitropyridine

Product 1

HCID 66995042Methyl 4-(2-nitropyridin-3-ylthio)benzoate

Sources & evidence

ORD record
ord-e274360fe36340f7b71213277ae0f8e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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