Acetone → 4-(3-tert-Butoxy-3-oxoprop-1-en-1-yl)benzoic acid

HRID 674285Notes

Reaction equation

HRID 674285 reaction equation
[CH2:12]([O:13][P:14]([O:15][CH2:16][CH3:17])(=[O:18])[CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH3:19].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[CH3:42][C:43](=[O:44])[CH3:45].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[H-:28].[K+:35].[Na+:29].[S:30](=[O:31])(=[O:32])([OH:33])[O-:34]>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1)=[CH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]

Participants

9

Reactant 8

HCID 180AcetoneHCID 813Potassium CationHCID 923Sodium ionHCID 80711,2-DimethoxyethaneHCID 120884-Formylbenzoic acidHCID 61778Sulfate, hydrogenHCID 166653HydrideHCID 2773685tert-Butyl diethylphosphonoacetate

Product 1

HCID 537099394-(3-tert-Butoxy-3-oxoprop-1-en-1-yl)benzoic acid

Sources & evidence

ORD record
ord-2f05e96f0eb048cf8032d96f62b80ab4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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