Find Reactions Using Search Terms

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You may find reactions using specified reaction roles and groups, multiple search terms (including Boolean operators), and reaction-specific phrases:

  • Specified reaction roles and groups: Natural-language processing recognizes reaction roles (reagent, solvent, and catalyst) and groups (substance, functional, and transformation) in the syntax/phrasing of your query.

    For example, the query:

    Camphorsulfonic acid catalyzed conversion of 3,4-Dihydro-2H-pyran to 224315462 in water

    is classified and processed as the following:

    Camphorsulfonic acid catalyzed conversion of 3,4-Dihydro-2H-pyran to 224315462 in water 

    • Catalyst: camphorsulfonic acid (based off catalyzed conversion)
    • (of) reactant: 3,4-dihydro-2h-pyra
    • (to) product: 224315462 
    • (in) solvent: water

  • Multiple terms: You may search multiple substance names and mixed case queries containing substance names and identifiers, document identifiers, and and reaction identifiers. Multiple terms in the search field must be separated by a space - no commas or other punctuation.

    For example, you can find of the all the reactions with a specific substance from a specific document. For the query "10.1021/acs.orglett.7b03668 and 2170309-48-3," there are six reactions with the given document identifier (10.1021/acs.orglett.7b03668) that have the RN (2170309-48-3) of interest.

    SF-ReactionSearch-MixedCaseQuery-Results.png

  • Using the reaction-specific phrases “synthesis of”, “preparation of”, and “production of” allows you to specify the desired product of a reaction. In addition, if one of the previous phrases is paired with “from” followed by a substance, the results will include the specified reactant and product as shown below (6 results instead of 131).

    SF-ReactionSearch-ReactionSpecificPhrase.png

Search Terms

Search terms may be:

  • Substance Name:
    • Example: benoxaprofen
      Note: Wildcard searching using an asterisk only works for single-search-term, single-word substance name searches (e.g., benoxa*).
    • Example: methyl ethyl ketone
    • Examples: amyloid ß, sigma bonds, interferon .alpha.
      Note: For more information, see Greek Letters and Equivalents Used in Searching.
  • CAS Registry Number (with or without dashes, e.g., 51146-57-7, 51146577)
    Notes:

    • Square brackets are accepted around RNs (e.g., [51146-57-7], but not single or double quotes.

    • You may enter multiple CAS RNs separated by a space, no commas or other punctuation. The search field has a 2000-character limit.

  • CAS Reaction Number (e.g., 31-367-CAS-23114229)
    Note: You may enter multiple CAS Reaction Numbers separated by a space or a comma or semi-colon followed by a space.

  • Document Identifier:

    • Patent Number (no spaces, e.g., US4571400)

    • Accession Number (e.g., 1986:230471)

    • PubMed ID Number (e.g., 15980585)

    • CAS Accession Number (CAN): document number in CA Plus (e.g.,148:486341)

The text query must match the identifier in the result exactly (e.g., substance name, CAS Registry Number, document identifier). CAS SciFinder will not match a partial name or number.

FAQ: When do multi-step reactions appear in my results?

As you enter the text, autosuggestions may appear; you can select from the list of suggestions or continue typing. Click the magnifying glass to submit the query.

SFn-ReactionsSearch-TextQuery.png

The results are displayed on the Reactions page.