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WTDWTR (What To Do With This Reaction?) a new program in the field of computer-aided organic synthesis. WTDWTR tries to answer to the question : what kind of cyclic structures can be obtained from a given reaction? The scheme of the program is the following : starting from a given reaction, the user indicates how many rings and their size have to be added. For example for he Diels-Alder reaction : |
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If the user aks to generate structures with a new rings of size 6, WTDWTR will generate the following structures with the corresponding precursors : |
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In our paper we presented the results obtained for the Diels-Alder reaction in the case of structures possessing four rings of size 6, 6, 6, 5 (“isomers” of steroidal skeleton) for which WTDWTR generated 590 solutions. 55 – WTDWTR : What To Do With This Reaction ? A New Program in the Field of Computer-Aided Organic Synthesis Design. Application to the Diels-Alder Reaction.
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