Benzene → alpha,2-Dimethyl-5-nitrobenzyl methyl ether

HRID 208738Notes

Reaction equation

HRID 208738 reaction equation
[CH3:14][I:15].[CH3:1][c:2]1[c:3]([CH:11]([CH3:12])[OH:13])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[CH3:26][CH2:27][CH2:28][CH2:29][N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42].[Cl-:25].[Na+:24].[OH-:23].[OH2:16].[cH:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:1][c:2]1[c:3]([CH:11]([CH3:12])[O:13][CH3:14])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 241BenzeneHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6328Methyl iodideHCID 16028TetrabutylammoniumHCID 205638201-(2-Methyl-5-nitro-phenyl)ethanol

Product 1

HCID 20563835alpha,2-Dimethyl-5-nitrobenzyl methyl ether

Sources & evidence

ORD record
ord-8f8e0714495e4543ad136307782bccde
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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