Example 2 Advanced Reaction Retrieval

The aim of the second example is to find suitable reaction conditions for running the same reduction reaction as in the first example, but in the presence of another carbonyl group which should not react. Furthermore, the reaction should lead to a product with a yield of 80% or more and a specific stereochemical configuration. 

To obtain the required product yield, the reaction substructure search is combined with a textual search using the queiy builder of the MDL ISIS program. 

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This tutorial, which is based on the Beilstein update BS0202PR (May, 2002) and on the retrieval program Cro.ssFire Commander V6,. shows. some typical advanced search examples in the Beilstein database. It is assumed that the user already knows some of the basic features of the retrieval program. Moreover, in this tutorial the CrossFire Structure Editor is used instead of the (SIS/Draw Structure Editor. The first example is a combined application of structure aiM fact retrieval, whereas the second example demonstrates reaction retrieval. 

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