Sodium ion → Allyl 2,2-dinitropropyl ether

HRID 1535652

Reaction equation

HRID 1535652 reaction equation
[CH2:55]([Cl:56])[Cl:57].[Cl:5][c:6]1[n:7][cH:8][cH:9][cH:10][cH:11]1.[F:12][C:13]([S:14]([O:15][S:16]([C:17]([F:18])([F:19])[F:20])(=[O:21])=[O:22])(=[O:23])=[O:24])([F:25])[F:26].[N+:27](=[O:28])([O-:29])[C:30]([CH2:31][OH:32])([CH3:33])[N+:34](=[O:35])[O-:36].[Na+:48].[Na+:49].[O-:50][S:51](=[O:52])(=[O:53])[O-:54].[OH:1][CH2:2][CH:3]=[CH2:4].[S:37]([O:38][CH2:39][CH:40]=[CH2:41])([C:42]([F:43])([F:44])[F:45])(=[O:46])=[O:47]>>[CH2:2]=[CH:3][CH2:4][O:32][CH2:31][C:30]([N+:27](=[O:28])[O-:29])([CH3:33])[N+:34](=[O:35])[O-:36]

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 1117Sulfate IonHCID 6344DichloromethaneHCID 7858Allyl AlcoholHCID 79772-ChloropyridineHCID 67749Trifluoromethanesulfonic anhydrideHCID 701942,2-DinitropropanolHCID 109322232-Propen-1-yl 1,1,1-trifluoromethanesulfonate

Product 1

HCID 71623087Allyl 2,2-dinitropropyl ether

Sources & evidence

ORD record
ord-4a9df2b602a4421e900a9414e1cb55c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

Loading…