Automated structure elucidation of two unexpected products in a reaction of an alpha,beta-unsaturated pyruvate.

Autor: Sharman GJ; AstraZeneca, Silk Road Business Park, Macclesfield, Cheshire SK10 2NA, UK. gary.sharman@astrazeneca.com, Jones IC, Parnell MP, Willis MC, Mahon MF, Carlson DV, Williams A, Elyashberg M, Blinov K, Molodtsov SG
Jazyk: angličtina
Zdroj: Magnetic resonance in chemistry : MRC [Magn Reson Chem] 2004 Jul; Vol. 42 (7), pp. 567-72.
DOI: 10.1002/mrc.1396
Abstrakt: The reaction between an alpha,beta-unsaturated pyruvate and ethyl diazoacetate (EDA) yielded two unexpected products. The structures of these products were determined by automated elucidation of the chemical structures using spectroscopic inputs of a series of 1D and 2D NMR data using the computer program ACD/Structure Elucidator, StrucEluc. The formation of these products is rationalised. Their structures were also confirmed by x-ray crystallography.
(Copyright 2004 John Wiley & Sons, Ltd.)
Databáze: MEDLINE
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