Ethanol → 7-(methyloxy)-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one

HRID 942386Notes

Reaction equation

HRID 942386 reaction equation
[CH3:1][O:2][c:3]1[c:4]([C:19]([F:20])([F:21])[F:22])[cH:5][c:6]([N+:16]([O-:13])=[O:14])[c:7]([O:9][CH2:10][C:11](=[O:12])[O:15][CH2:17][CH3:18])[cH:8]1.[CH3:30][C:31]#[N:32].[CH3:41][CH2:42][OH:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[OH2:23].[OH2:24].[OH2:33].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40].[Sn:25]([Cl:26])([Cl:27])([Cl:28])[Cl:29]>>[CH3:1][O:2][c:3]1[c:4]([C:19]([F:20])([F:21])[F:22])[cH:5][c:6]2[c:7]([cH:8]1)[O:9][CH2:10][C:11](=[O:12])[NH:16]2

Participants

8

Reactant 7

HCID 702EthanolHCID 962Water3×HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 24287Tin tetrachlorideHCID 57488863Ethyl {[5-(methyloxy)-2-nitro-4-(trifluoromethyl)phenyl]oxy}acetate

Product 1

HCID 575012767-(methyloxy)-6-(trifluoromethyl)-2H-1,4-benzoxazin-3(4H)-one

Sources & evidence

ORD record
ord-6a90022dee7e4ed5ab4674e78e387652
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

Loading…