Production method of butadiene 3-hydroxy-propionic acid, and crotonyloxy alcohol and synthetic route creation program synthesis path generation device, synthetic routes and how to create

摘要

To create a synthetic route of the compounds without limiting the chemical conversion rule. Synthetic route creating unit, the difference value by a conversion unit that converts the numerical chemical structure of the compound, to create a pair of compound and subtracting the value of the compound from the other figures for the compound of one of the pair of compounds of the compound pair is compared with the difference value of the compound pair is unknown difference value of the compound pair a calculating unit which calculates, reactions for the pair of compounds is known, the reactions for the pair of compounds, the difference values ​​match a creation unit for creating a synthetic route to compound determination unit determining a virtual reaction unknown reaction, the node indicating the compound, the, edge and respectively indicating the virtual reactive and known reactions, synthesis to the target compound from starting compounds I comprises a selection unit for selecting from the synthetic route of compounds which have been made, the path.