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

G J Sharman, I C Jones, M P Parnell, M C Willis, M F Mahon, D V Carlson, A Williams, M Elyashberg, K Blinov, S G Molodtsov

Research output: Contribution to journalArticlepeer-review

8 Citations (Scopus)

Abstract

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 (C) 2004 John Wiley Sons, Ltd.
Original languageEnglish
Pages (from-to)567-572
Number of pages6
JournalMagnetic Resonance in Chemistry
Volume42
Issue number7
DOIs
Publication statusPublished - 2004

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