Classification scheme of chemical reactions

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Abstract
The main concept of the suggested classification scheme of chemical reactions is the so-called reaction core. The reaction core is determined as an ordered triple, R = (R, G, φ, where R is a reaction graph, G is an intact molecular subgraph containing the edges and loops that are common for both substrate and product molecular graphs mutually related by the above reaction graph, and finally, φ is an evaluation of vertices from G by appropriate atomic symbols. An arbitrary chemical reaction, independently of its mechanistic stepwise realization, may be unambiguously characterized by this concept of reaction core.

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