Ethyl Acetate → 4-Methylsulfonyl-2-nitro-1-prop-1-enylbenzene

HRID 141084Notes

Reaction equation

HRID 141084 reaction equation
[Br:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1.[CH3:23][CH2:24][O:25][C:26]([CH3:27])=[O:28].[CH:15](=[CH:16][CH3:17])[B:18]([OH:19])[OH:20].[Cs+:22].[F-:21]>>[c:2]1([CH:15]=[CH:16][CH3:17])[c:3]([N+:12](=[O:13])[O-:14])[cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 8857Ethyl AcetateHCID 28179Fluoride IonHCID 104967Cesium cationHCID 236540cis-Propenylboronic acidHCID 20603662-Bromo-5-methylsulfonylnitrobenzene

Product 1

HCID 670081074-Methylsulfonyl-2-nitro-1-prop-1-enylbenzene

Sources & evidence

ORD record
ord-bf5a4effe5bd4c50a300b51c57126746
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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