Dimethyl Sulfoxide → 2-[1-(3,4-Dichlorophenyl)-2,2,2-trifluoroethoxy]-5-nitropyridine

HRID 1120899Notes

Reaction equation

HRID 1120899 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:33][S:34](=[O:35])[CH3:36].[Cl:11][c:12]1[cH:13][c:14]([CH:19]([C:20]([F:21])([F:22])[F:23])[OH:24])[cH:15][cH:16][c:17]1[Cl:18].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[K+:29].[K+:30].[Na+:32].[OH-:31]>>[c:2]1([O:24][CH:19]([c:14]2[cH:13][c:12]([Cl:11])[c:17]([Cl:18])[cH:16][cH:15]2)[C:20]([F:21])([F:22])[F:23])[n:3][cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 923Sodium ionHCID 961HydroxideHCID 19660Carbonate IonHCID 783082-Chloro-5-nitropyridineHCID 136705501-(3,4-Dichlorophenyl)-2,2,2-trifluoroethan-1-ol

Product 1

HCID 136705512-[1-(3,4-Dichlorophenyl)-2,2,2-trifluoroethoxy]-5-nitropyridine

Sources & evidence

ORD record
ord-21f18ba290a24fdeab8bb9e6c48645b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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