A theoretical study of the mechanism of rearrangement of dihydropyrimidines into pyrroles
Vol. 74 No. 578 (2017), Articles
Vol. 74 No. 578 (2017)

A theoretical study of the mechanism of rearrangement of dihydropyrimidines into pyrroles

Articles
A. de la Hoz
Departamento de Química Orgánica Facultad de Química Universidad de Castilla-La Mancha Avda. Camilo José Cela, 10 13071 Ciudad Real
I. Alkorta
Instituto de Química Médica CSIC Juan de la Cierva, 3 28006 Madrid
J. Elguero
Instituto de Química Médica CSIC Juan de la Cierva, 3 28006 Madrid
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de la Hoz, A. et al. “A theoretical study of the mechanism of rearrangement of dihydropyrimidines into pyrroles”. Afinidad. Journal of Chemical Engineering Theoretical and Applied Chemistry, vol.VOL 74, no. 578, https://raco.cat/index.php/afinidad/article/view/326413.


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Abstract

Pyrimidines, pyrroles, cycloreversion,CO extrusion, Two possible mechanisms for the transformation of a 1,4-dihydropyrrolo[3,2-b]pyrrole derivative into a tetrasubstituted pyrrole have been studied theoretically and one of them has been found in reasonable accord with the experimental data. This mechanismis part of the very rare example of rearrangement of dihydropyrimidines into pyrroles.

Keywords

  • Pyrimidines
  • pyrroles
  • cycloreversion
  • CO extrusion
  • DFT calculations.
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