Stoichiometric analysis mathematical modeling

The ratio Qpn of the relative amounts of the products p-(62) and n-(62) depends strongly on the reaction conditions.69 Qpn can range from Qpn 1 to Qpn 1. A mathematical model for the mechanism of the Ugi reaction, a complex system of parallel and consecutive reactions, was established by a computer-assisted analysis of Qpn as a function of the concentration of the reactants in methanol at 0 C.2o,m.69 jn a solution of (58M60), or (58) and (61), we have an equilibrium of the species (63M66). The formulas (63M66) describe primarily the stoichiometric composition of the species. The formula (64) represents, for instance, the equilibrium system (64a)-(64c), where (64a) is a tight ion pair, (64b) is a pair of diastereomers and (64c) is a hydrogen-bonded adduct. 

DBsolve is a standalone software tool for the construction and analysis of mathematical models of biological systems. It helps in the automatic generation of structural kinetic models on the basis of stoichiometric matrices or reaction lists, numerical parameter... 

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