Acetic Acid → 2,4-Diisopropyl-1-nitrobenzene

HRID 199239

Reaction equation

HRID 199239 reaction equation
[CH3:17][C:18](=[O:19])[OH:20].[CH3:21][C:22]([O:23][C:24](=[O:25])[CH3:26])=[O:27].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([CH:14]([CH3:15])[CH3:16])[cH:11][cH:12][cH:13]1.[OH2:28].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:13]1[c:8]([CH:5]([CH3:6])[CH3:7])[cH:9][c:10]([CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 74501,3-DiisopropylbenzeneHCID 7918Acetic AnhydrideHCID 8058Hexane

Product 1

HCID 223357262,4-Diisopropyl-1-nitrobenzene

Sources & evidence

ORD record
ord-5a51cdca4ee7401bb155a28548750b71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

Loading…