Reaxys Guide
1. Introduction
Reaxys combines the Crossfire Beilstein, Crossfire Gmelin and the Patent Chemistry databases. It covers
organic, organometallic and inorganic chemistry and includes data on single and multi-step reactions, physical
properties, structures and catalysts.
Chemists can use structures and sub-structures as starting points to look for preparations of compounds,
reactions and properties. Reaxys can also be searched by property values; if, for example, a specific melting
point is known, a database search will find compounds with that melting point. The data is immediately
accessible, so it is not always necessary to look at the references that have generated the data. For nonchemists, the databases can also be searched by input of text (e.g. authors’ names, bibliographic references)
and by browsing indexes of e.g. chemical names, formulae and property values. The databases should be useful
for biochemists, chemical engineers, metallurgists (Gmelin has information about metals and alloys), geologists
(mineral information through Gmelin), materials scientists, biologists, pharmacists, electrical engineers and
biomedical scientists/students.
2. Access
Reaxys is available both on and off-campus. Login with your DS username/password. It can be found through
SUPrimo and on the Library’s list of all databases at: http://www.strath.ac.uk/library/eresources/databases/
3. Search Reaxys
There are three main search options including Reactions, Substances, Names and Formulas and Literature.
Reactions and substance queries can use structure and/or text searching. Ask Reaxys allows you to enter
queries in plain English. There is also an Advanced search tab.
Literature lets you enter perform bibliographic
searches and search for keywords that describe
your topic. Choose Literature. Enter your terms
in the appropriate search box. Document types
can be browsed by clicking on “Lookup”. For
example to find the sedative properties of
antihistamines, the query antihistamine* sedat*
would be entered. This would find
antihistamine(s) and sedative(s), sedate,
sedating, sedation, sedated. Reaxys assumes
AND between terms. Click on the Search
Literature button. Terms can be joined with:
OR – records where either term appears. ; can
also be used for OR.
NOT – records containing the first term but not
the second term. NEAR - records where
the first term appears before second NEXT - records where the terms are adjacent.
Use * to represent any number of characters.
Searching Property Data You can search for compound and reaction properties. Choose
the appropriate property from the common property groups in the Homepage. For example
to find which compounds have a boiling point above 350º and a melting point in the range
YOUR
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123º-125º, choose Physical. In the Melting Point box enter 123 then choose 123-125 from
the drop down suggestions. Repeat for Boiling Point and enter 350. Click on Search Substances to run the
search. For more complex queries, click on the Advanced button.
Reaction search allows a structure or fragment, or a reaction or parts, to be searched. The structure editor is
opened by double-clicking anywhere in the drawing pane. These instructions refer to the ChemAxon
MarvinSketch Editor, which is the default editor.
Drawing structures
 atoms and bond types – carbon atom and single bond are shown, with others available from the dropdown menus.
 templates – predefined chemical structures. Use one of the ring templates represented by the
corresponding button or choose the template library.
 the general toolbar (top and left hand side) provides access to the most common menu items. Use the
Rectangle selection tool to pick parts of the drawing which can then be moved, sized or merged
 structure queries can be saved by selecting Export in the Structure editor window. Use Import to load a
query.
Once the structure has been defined, click on the Transfer Query button to return to the homepage. Further
attributes can be chosen from the options on the right side of the structure/reaction window. Click Search to run
the search.
Create Structure Template from Name link below the structure box. Enter a chemical name and click on the
Submit button. The generated structure is now displayed in the structure/reaction window. Choose further
attributes from the options on the right side of the window. Click Search Substances to run the search.
4. Results Display
All types of search results can be further refined by applying the filters in the left hand column. For Substances
and Properties and Reaction results, clicking on the structure will give further options and data.
Citations results
You will see a table of references
(citations) showing bibliographic
(e.g. title of document, author(s)
etc.) details. Results can be sorted
in ascending or descending order
by Publication Year, Document
Type, Author, Journal Title. Click
on the
button
in the Source column, to check if
the full article is available.
Substances & Properties results
The table display is shown by
default but you can switch to the
grid display. Hit Data links to data
that matches your search criteria.
Reactions results.
Key data is displayed in a table.
You can view the title/abstract, Full
text of article or patent (if available)
and related information.
5. Output
All information can be printed and exported to other applications (e.g. PDF, Excel, Word, reference management
software) by clicking the Export button. You can output all hits, selected hits (check boxes next to results) or a
range of hits. The Print button also allows you to quickly print all hits.
Last updated: 06/01/2016 Elaine Blair, Science Faculty Librarian. Email: [email protected]