Explains different ways to find reaction information in Reaxys. This was presented in a webinar on June 17, 2014.
Christine FlemmingElsevier Product Training ManagerJune 17, 2014
FINDING REACTION INFORMATION IN
The video for this presentation can be seen here:
TRANSFER HYDROGENATION OF
KETONES• ATOM MAPPING
• REACTION DETAILS SEARCH FORM
• REAXYS TREE
• ASK REAXYS
Transfer hydrogenation occurs when hydrogen is added to a substance (from a source other than H₂). What are the hydrogen transfer reagents and catalysts?
• CATALYST SEARCH
MANY WAYS TO BEGIN A REACTION SEARCHFive direct ways to get to reaction information
DRAW AND MAP THE REACTION
1. Click the Reactions theme. Click the white box to open the structure editor (MarvinSketch).
2. Draw the reaction
3. Click the Atom Mapping tool, click a carbon in the reactant, and drag to the analogous carbon in the product.
4. Use the Lasso tool, click in the white space and type the following keys (one after the other):
Click each of the 6 atoms that will be allowed to have substituents.
Results: 1682 reactions are retrieved
REACTION DETAILS FORM
Information from experimental procedure section of an article/patent, or other ‘categorized’ reaction-related sections. In other words, categorized into Reaxys Reaction Details search fields.
Many more fields can be added by clicking here
SELECTED EXAMPLES OF AVAILABLE SEARCHABLE FIELDSREACTION DETAILS FORM
Record Type Reaction Classification
Fulltext of Reaction Reaction Basic Index
Results: 65 reactions are retrieved
HOW DO I VIEW ONLY THE FILTERED REACTION DETAILS?FILTER BY REAGENT OR SOLVENT
EXPORT FILTERED RESULTS
Click the Output button
Make selections. Click OK.
Use the document’s highlight features to make the filtered word stand out when viewing the exported document.
Click the Limit to button
ADD TO REPORT
Mouse over the corner, then make a selection from themenu that appears.
Click the Report button, change the order of the items, make annotations, and send the report to colleagues.
Uncheck the topics you are not interested in.
This group will retrieve many more citations than the one below because it refers to all hydrogenations as well as the 2 named reactions that are shown.
This group refers to only the 2 named reactions shown.
Over 1000 citations found
Two choices are given: Citations and Reactions
The query components are color-coded and also defined by clicking Show Query
SEARCH BY CATALYST
Start with a similar structure and right click, and select ‘copy Structure to query’………
Or draw the whole structure in a Structure Editor.
Use query features to generalize the query
Search by ‘Reagent/Catalyst’
THANK YOUANY QUESTIONS?
Please complete the survey that appears at the end of this webinarThank you!