Chloride → 3-(1-Hydroxy-2,2,2-trifluoro-1-trifluoromethylethyl)-2-methyl-7-nitrobenzo[b]furan

HRID 674920

Reaction equation

HRID 674920 reaction equation
[Al+3:15].[CH3:1][c:2]1[cH:3][c:4]2[c:5]([o:6]1)[c:7]([N+:11](=[O:12])[O-:13])[cH:8][cH:9][cH:10]2.[Cl-:14].[Cl-:16].[Cl-:17].[Cl:46][CH2:47][Cl:48].[F:18][C:19]([F:20])([F:21])[C:22](=[O:23])[C:24]([F:25])([F:26])[F:27].[F:31][C:32]([F:33])([F:34])[C:35]([C:36]([F:37])([F:38])[F:39])=[O:40].[OH2:28].[OH2:29].[OH2:30].[S:41](=[O:42])(=[O:43])([OH:44])[OH:45]>>[CH3:1][c:2]1[c:3]([C:22]([C:19]([F:18])([F:20])[F:21])([OH:23])[C:24]([F:25])([F:26])[F:27])[c:4]2[c:5]([o:6]1)[c:7]([N+:11](=[O:12])[O-:13])[cH:8][cH:9][cH:10]2

Participants

8

Reactant 7

HCID 312Chloride3×HCID 962Water3×HCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 12695Hexafluoroacetone2×HCID 104727Aluminum CationHCID 132018972-Methyl-7-nitrobenzofuran

Product 1

HCID 867535533-(1-Hydroxy-2,2,2-trifluoro-1-trifluoromethylethyl)-2-methyl-7-nitrobenzo[b]furan

Sources & evidence

ORD record
ord-e01b133c00564975b90f64c50cf3be5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

Loading…