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

doi:10.1002/mrc.1396

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

Department of Chemistry

Research output: Contribution to journal › Article › peer-review

8 Citations (SciVal)

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 language	English
Pages (from-to)	567-572
Number of pages	6
Journal	Magnetic Resonance in Chemistry
Volume	42
Issue number	7
DOIs	https://doi.org/10.1002/mrc.1396
Publication status	Published - 2004

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ID number: ISI:000222342600001

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10.1002/mrc.1396

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

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.",

author = "Sharman, \{G J\} and Jones, \{I C\} and Parnell, \{M P\} and Willis, \{M C\} and Mahon, \{M F\} and Carlson, \{D V\} and A Williams and M Elyashberg and K Blinov and Molodtsov, \{S G\}",

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T1 - Automated structure elucidation of two unexpected products in a reaction of an alpha,beta-unsaturated pyruvate

AU - Sharman, G J

AU - Jones, I C

AU - Parnell, M P

AU - Willis, M C

AU - Mahon, M F

AU - Carlson, D V

AU - Williams, A

AU - Elyashberg, M

AU - Blinov, K

AU - Molodtsov, S G

N1 - ID number: ISI:000222342600001

PY - 2004

Y1 - 2004

N2 - 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.

AB - 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.

U2 - 10.1002/mrc.1396

DO - 10.1002/mrc.1396

M3 - Article

SN - 0749-1581

VL - 42

SP - 567

EP - 572

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

IS - 7

ER -

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

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