Collect. Czech. Chem. Commun. 1988, 53, 3119-3130

The reaction distance

Jaroslav Koča

Department of Organic Chemistry, J. E. Purkyně University, 611 37 Brno


An algorithm is suggested for the calculation of the reaction distance as the minimal number of elementary steps of reorganization of valence electrons during a reaction. The basis for the formulation of this algorithm is the synthon isomerization graph (SR-graph). Chemical examples of application of the algorithm are given.