You may find reactions using specified reaction roles and groups with multiple search terms (including Boolean operators).
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. When a reacting participant is identified in the query, the query is expanded to include the participant in reactant or reagent role.
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
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- Catalyst: camphorsulfonic acid (based off catalyzed conversion)
- (of) reactant: 3,4-dihydro-2h-pyra
- (to) product: 224315462
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(in) solvent: water
Solvent
A substance in a solvent role can be added by appending “in solvent_name” to the end of any reaction phrase.
Boolean
You can specify multiple substances in any role using “and” or “or”. “with”, “In the presence of” and “+” are synonyms for “and”.
Any Role Substances
A substance or multiple substance can be searched in any role (reactant, product, catalyst, reagent, solvent) by including the substance names with at least 2 reaction keywords. These keywords are:
- reaction
- catalyst
- synthesis
- formation
- preparation
- production
- mechanism
- catalyzed
- catalysed
- catalysis
- promoted
- mediated
Example: substance_name_1 substance_name_2 synthesis production
Any Role Substance + Reaction Group
A substance in any role can be searched with a reaction group by just entering the name of the substance, the name of the reaction group, and at least 2 of the reaction keywords
Example: substance_name_1 reaction_group_name preparation formation
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.
Search Terms
Search terms may be:
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Substance Name:
- Example: benoxaprofen
- Example: methyl ethyl ketone
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Examples: amyloid ß, sigma bonds, interferon .alpha.
Note: For more information, see Greek Letters and Equivalents Used in Searching.
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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.
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You may enter multiple CAS RNs separated by a space, no commas or other punctuation. The search field has a 2000-character limit.
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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:
- Title
- Digital Object Identifier (DOI), e.g., 10.1016/j.molcata.2005.05.038
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Patent Number (no spaces, e.g., US4571400)
- Patent Application Number
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Accession Number (AN) (e.g., 1986:230471)
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PubMed ID Number (e.g., 15980585)
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CAS Accession Number (CAN): document number in CA Plus (e.g.,148:486341)
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ChemZent ID (CZ Id): CZ:1929:15262
Note: When searching reactions by document identifier, a link to the matching document (if available) displays at the top of the results page.
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.
The results are displayed on the Reactions page.