Molecular design of heterocycles. 6. Hetarenes with bridge nitrogen atom. 4. Strategy and tactics for computer prediction of new recyclizations in the azolopyridine series with bridge nitrogen atom

Autor: Eugene V. Babaev, N. S. Zefirov
Rok vydání: 1997
Předmět:
Zdroj: Chemistry of Heterocyclic Compounds. 32:1344-1357
ISSN: 1573-8353
0009-3122
DOI: 10.1007/bf01169965
Popis: Based on the previously developed program for computer prediction of recyclization (GREH) and analysis of literature data on ring opening in bridged azolopyridines, we propose specific types of substituted substrates capable of undergoing previously unknown classes of isomerization and recyclization. We discuss the criteria for expert assessment of the computer predictions and heuristic principles for design of the structures of such substrates (the empirical principle of the maximally alternant tree in the bicycle), increasing the probability of experimental observation of the predicted conversions.
Databáze: OpenAIRE
Externí odkaz: