Filter Reaction Results

  • Updated

Filter Behavior:

  • Filter by: Displays only those results matching the applied filter(s).
  • Exclude: Excludes the results matching the applied filter(s).

    _Sfn-FilterBehavior-FilterByExclude.png

The result set changes dynamically as filters are applied or cleared.

Click the filters listed below to see how applying that filter will change the result set.

Substance Role

Substance_Role_example.png

Yield

Yield_example.png

Number of Steps

number_of_steps.png

Non-Participating Functional Groups

_SFn-FilterReactions-NonParticipatingFunctionalGroups.png

The functional groups available in the filter are shown below.

Alkene Epoxide Secondary amine
Alkyl halide Ether Sulfide
Alkyne Glycol Sulfone
Allyl alcohol Halide Sulfonyl halide
Amide Hemiacetal Sulfoxide
Amine Hydroxylamine Tertiary alcohol
Anhydride Imine Tertiary amine
Azide Isocyanate Thiocarbonyl
Carbamate Isonitrile Thiocarboxy
Carbonic ester Ketene Thiol
Carboxamidine Ketone Unsaturated aldehyde
Carboxylic acid Metal halide Unsaturated ester
Carboxylic ester Nitrile Unsaturated ketone
Cyclic alcohol Nitro Urea
Cyclic alkene Organometal Vinyl halide
Cyclic ester Oxime  

Reaction Mapping

Example: Select Mapping Data Available to display the 6 reactions that have atom mapping data.

_SFn-FilterReactions-ReactionMapping.png

Reaction Scale

Select a Reaction Scale filter to display reactions using that scale in their method.

Note: Multi-step reactions:

  • with different scales across steps will be displayed in multiple bins based on the available scales.
  • without scales for some steps will be displayed in the bins based on the available scales for steps.

For example, select Gram to display the 817 reactions that use gram as the scale in their method.

_SFn-FilterReactions-ReactionScale.png

_SFn-FilterReactions-ReactionMapping-ReactionDetail.png

Experimental Protocols

Select an Experimental Protocols filter to display reactions with that information type.

For example, select Synthetic Methods to display the 36 reactions that have method protocols from Synthetic Methods.

_SFn-FilterReactions-ExperimentalProtocols-SyntheticMethods.png

Reaction Type

Select a Reaction Type filter to display reactions that match that type.

For example, select Product Only to display the 116 product-only reactions.

Note: The Reaction Type filtering options that display are based on the result set. There may only be one option available if all results are of that type (e.g. Full).

_SFn-Reactions-Filter-ReactionType-FullOnly.png

Stereochemistry

Stereochemistry_rxn_example.png

Reagent

reagent.png

Catalyst

Catalyst.png

Solvent

Solvent.png

Commercial Availability

commercial_availability_reactions.png

Reaction Notes

Reaction_Notes_example.png

Search Within Results

You may draw up to three structures to search for matches within the displayed reactions:

  1. Click the Draw button to open CAS Draw/ChemDoodle.

    Note: Stereochemistry is ignored in the filter structure.

    _SFn-FilterWithinResults-DrawButtonOnly.png

  2. After drawing the structure, clicking the Cancel button returns you to the original result set; clicking the OK button generates a thumbnail image of the structure in the filter and provides the options to select As Drawn or Substructure search modes. Click the Search button to apply the filter.

    _SFn-FilterWithinResults-StructureEditor-Blue.png

    _SFn-FilterWithinResults-SearchButton-Blue.png

  3. Click the Draw button to add another search within structure.

    _SFn-FilterWithinResults-StructureAdded-DrawButton.png

    _SFn-FilterWithinResults-SecondStructureAdded.png

  4. The highlighting that appears in the results is based on the last structure added. Structures and be removed and edited by clicking the Remove and Edit link or can be permanently removed by clicking the X.

    _SFn-FilterWithinResults-TwoStructuresAdded.png

    A summary of the structures applied is provided in the filtering dropdown; structures can be removed from the result set by deselecting the thumbnail image.

    _SFn-FilterWithinResults-TwoStructuresAdded-FilterDropdown.png

Source Reference

Document Type

Document_Type_rxn_example.png

Language

Language_rxn_example.png

Publication Year

Publication_Year_rxn_example.png

Organization

Select an Organization filter to display the reactions with references that are associated with that particular group.

For example, select National Institute for Materials Science (NIMS) to display the 5 reactions with references associated with that organization.

_SFn-FilterReferences-SourceReference-Organization.png

Publication Name

_SFn-FilterReactions-PublicationName.png

CA Section

Select a CA Section filter to display the reactions with references that are categorized under that particular title.

For example, select Pharmacology to display the 8,873 reactions with references categorized under that CA Section title.

_SFn-FilterReferences-CASectionTitle.png