Reaxys reactions june2014

Christine FlemmingElsevier Product Training ManagerJune 17, 2014

FINDING REACTION INFORMATION IN

REAXYS

The video for this presentation can be seen here:

http://youtu.be/-jLcb9f2Nlo

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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?

• FILTERING

• EXPORTING

• CATALYST SEARCH

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MANY WAYS TO BEGIN A REACTION SEARCHFive direct ways to get to reaction information

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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.

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QUERY

Results: 1682 reactions are retrieved

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REACTION DETAILS FORM

Structure-related

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

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SELECTED EXAMPLES OF AVAILABLE SEARCHABLE FIELDSREACTION DETAILS FORM

Record Type Reaction Classification

Reaction Type

Subject Studied

Fulltext of Reaction Reaction Basic Index

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QUERY

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RESULTS

Results: 65 reactions are retrieved

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HOW DO I VIEW ONLY THE FILTERED REACTION DETAILS?FILTER BY REAGENT OR SOLVENT

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EXPORT FILTERED RESULTS

Click the Output button

Select hits

Make selections. Click OK.

Suggestion:

Use the document’s highlight features to make the filtered word stand out when viewing the exported document.

Click the Limit to button

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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.

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REAXYS TREE

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.

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ASK REAXYSREACTIONS

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CITATIONSASK REAXYS

Over 1000 citations found

Two choices are given: Citations and Reactions

The query components are color-coded and also defined by clicking Show Query

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SEARCH BY CATALYST

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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!

c.flemming@elsevier.com