Ground states of molecules. Part 35. MINDO/3 study of the Cornforth rearrangement
Abstract
MINDO/3 calculations are reported for the Cornforth rearrangement of 5-methoxyoxazole-4-carboxamide and of the 2-vinyl derivative to the corresponding methyl 5-amino-oxazole-4-carboxylates. The reaction involves an unusual intermediate for which no satisfactory classical structure can be written. The results account well for the experimental evidence concerning such reactions.
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