Dimethylformamide → 2,2-Dimethyl-4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

HRID 101816Notes

Reaction equation

HRID 101816 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[Cs+:19].[Cs+:20].[F:21][C:22]([F:23])([F:24])[S:25]([O:26][CH2:27][CH:28]1[O:29][C:30]([CH3:33])([CH3:34])[O:31][CH2:32]1)(=[O:35])=[O:36].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([OH:14])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([O:14][CH2:27][CH:28]2[O:29][C:30]([CH3:33])([CH3:34])[O:31][CH2:32]2)[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27562513-Hydroxy-5-nitrobenzotrifluorideHCID 105157222,2-Dimethyl-4-(trifluoromethylsulfonyloxymethyl)-1,3-dioxolane

Product 1

HCID 589023872,2-Dimethyl-4-[[3-nitro-5-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolane

Sources & evidence

ORD record
ord-85364a7c7b654a65a846e5852e5add1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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