Filter Reactions by Structure Match

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Note: Structure Match only appears if the search query includes a structure drawing and the reactants/product generate an ICC code.

_SFn-Reactions-Filter-ReactionType.png

Select:

As Drawn to display the 21 reactions that match the structure exactly as drawn.

Substructure to display the 1.1 million reactions that contain the structure embedded as a substructure.

Similarity to display a filter where you may select the level of similarity between your query's reaction center and reactions in the results. Note: This filter is only available for searching single-step reactions.

For example, searching the below reaction produced 310 similar results.

_SFn-StructureMatch-Similarity-QueryReaction.png

Broad: Reaction centers must match.

_SFn-StructureMatch-Similarity-BroadComparision.png

Medium: Reaction centers plus the adjacent atoms and bonds must match.

_SFn-StructureMatch-Similarity-MediumComparision.png

Narrow: Reaction centers plus the extended atoms and bonds (those alpha and beta to the reaction centers) must match.

_SFn-StructureMatch-Similarity-NarrowComparision.png