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


Reference:

Sharman, G. J., Jones, I. C., Parnell, M. P., Willis, M. C., Mahon, M. F., Carlson, D. V., Williams, A., Elyashberg, M., Blinov, K. and Molodtsov, S. G., 2004. Automated structure elucidation of two unexpected products in a reaction of an alpha,beta-unsaturated pyruvate. Magnetic Resonance in Chemistry, 42 (7), pp. 567-572.

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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.

Details

Item Type Articles
CreatorsSharman, G. J., Jones, I. C., Parnell, M. P., Willis, M. C., Mahon, M. F., Carlson, D. V., Williams, A., Elyashberg, M., Blinov, K. and Molodtsov, S. G.
DOI10.1002/mrc.1396
DepartmentsFaculty of Science > Chemistry
RefereedYes
StatusPublished
ID Code4865
Additional InformationID number: ISI:000222342600001

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