Bicarbonate Ion → 2-Methyl-1-(2-methyl-4-nitrophenoxy)propan-2-ol

HRID 2349000Notes

Reaction equation

HRID 2349000 reaction equation
[CH3:12][C:13]1([CH3:16])[O:14][CH2:15]1.[CH3:1][c:2]1[c:3]([OH:11])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[CH3:23][C:24]#[N:25].[K+:17].[K+:18].[Na+:31].[O-:19][C:20]([O-:21])=[O:22].[O-:27][C:28]([OH:29])=[O:30].[OH2:26]>>[CH3:1][c:2]1[c:3]([O:11][CH2:15][C:13]([CH3:12])([OH:14])[CH3:16])[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6342AcetonitrileHCID 74422-Methyl-4-nitrophenolHCID 11208Isobutylene oxideHCID 19660Carbonate Ion

Product 1

HCID 575406062-Methyl-1-(2-methyl-4-nitrophenoxy)propan-2-ol

Sources & evidence

ORD record
ord-b5afa449e536491e80604f93409c07cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…