Hydrochloric Acid → 6-(2-Cyclopentyl-2-hydroxy-but-3-ynyl)-2,2-dimethyl-[1,3]dioxin-4-one

HRID 2138143Notes

Reaction equation

HRID 2138143 reaction equation
[C:1](=[O:2])([C:3]([O:4][CH2:5][CH3:6])=[O:7])[O:8][C:9]([C:10]#[CH:11])([CH2:12][C:13]1=[CH:14][C:15](=[O:21])[O:16][C:17]([CH3:19])([CH3:20])[O:18]1)[CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1.[CH3:34][OH:35].[ClH:33].[K+:27].[K+:28].[O-:29][C:30]([O-:31])=[O:32]>>[OH:8][C:9]([C:10]#[CH:11])([CH2:12][C:13]1=[CH:14][C:15](=[O:21])[O:16][C:17]([CH3:19])([CH3:20])[O:18]1)[CH:22]1[CH2:23][CH2:24][CH2:25][CH2:26]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 19660Carbonate IonHCID 58762338(+)-1-cyclopentyl-1-[(2,2-dimethyl-4-oxo-4H-1,3-dioxin-6-yl)methyl]prop-2-ynyl ethyl oxalate

Product 1

HCID 224998026-(2-Cyclopentyl-2-hydroxy-but-3-ynyl)-2,2-dimethyl-[1,3]dioxin-4-one

Sources & evidence

ORD record
ord-77129e212eb2435aa83c0fbf76096822
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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