Generalizing Reactions:

The idea:

Start with a reaction example and make a transformation from it.

Potentially useful way to link reactions in the database (eg: query to find all nitrations in the database).

Useful tool for transformation processing. That is, find an example, generalize it, and use the resulting transformation for other manipulations (like building combinatorial libraries, MTZ, etc.)


Must start with an atom-mapped reaction. It must be fully mapped, or easily converted to a fully mapped reaction.

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