reaxys – an introduction

Elsevier Confidential

Reaxys – an introduction

2Elsevier Confidential

A brand new workflow tool for synthetic and medical chemists

An extensive repository of chemical properties and reaction data presented with chemistry as the organizing principle

A resource for accurate and validated experimental data, designed to support the optimization of synthetic processes. High quality answers you can use with confidence.

An appealing interface that is easy to work with. New analysis and planning tools offer new, expedient functions that help to plan the synthesis of target compounds.

A web-based product that makes synthetic chemistry and medical drug research and discovery more efficient, and helps to achieve better results. No installation efforts required. Simply access at www.reaxys.com

What is Reaxys?


Connect to Reaxys site http://www.reaxys.com

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Easy Searching

Three Search Menus:- Reactions- Substances and Properties- Text, Authors and more

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1. A easy way to create chemical structure: Generate Structure from Name button

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2. How to edit a chemical structure?

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3. Search for Synthesis of 4-chloroindole

Structure generated from name

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Add further search conditions if needed

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Launch the Search

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Search Progress window


View the research results Intelligent Answer Set Ranking

Various ‚Sort by‘ optionsReaxys Ranking - the best reaction first - is the default option

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Access supplier information of starting materials

Product & reactant commercially available; link to supplier info1


Access supplier information of starting materials


Access bibliographic information

Display Title/Abstract, Jump in Full TextSearch for other references in Scopus

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Display Title/Abstract


Jump to Full Text

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Search other references in Scopus


How to isolate Reactions done in Methanol?Filters & Analyzing tools

Filter-Criteria

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How to select specific Reactions?Filters & Analyzing tools

Graphical navigation with the Breadcrumbs

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How to display the Experimental Procedure of a specific reaction?

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How to display entire scheme of multi-steps reaction?

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Display of multi-steps reaction In the Synthesis Plans tool

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4. How to display experimental Substance Data?

Click molecular structure:Show Details displays Substance Property

Data

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Huge variety of experimental Substance Data


5. How to export search results?The Output feature

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Output Reaction Results

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Select your output features

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Reaction Table exported to EXCEL

Reaction Table exported to EXCEL:• Example Label (here Example 20) • Example Text


Reaction Table exported to PDF

Can be printedCan be imported in other applications (Electronic Lab Notebook,…)


6. How to save temporary created hitsets?

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7. How to combine hitsets?

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If 2 hits selected If >2 hits selected

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8. How to create a retrosynthesis?Synthesis of a Starting Material

Click a reactant without commercial availability information:“Plan a Synthesis“ of the starting material

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Start your Retrosynthesis

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Click „Synthesize“

If needed, change the display of your future retrosynthesis


Add a synthetic step

Add a synthetic step to your future plan

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Add another synthetic step if needed

Check commercial availability of SMsIf needed, follow-up with next synthetic step

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9. How to view the Bibliographic References linked to Reactions?

Click the Citation tab to display the associated journals/patentslinked to your current reactions

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The Citation tab

View - Title/Abstract- Hit / All reactions in this article- All substances in this article

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10. How to find information on HexaAzaTriphenylene (HAT) derivatives containing two fragments?

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Structure generated from name

Add further search conditions if needed


Launch the Search

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Search Progress window


View the research results Intelligent Answer Set Ranking

Various ‚Sort by‘ options1

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Magnifier tools

Substance and Properties results


Explore Specific Properties

Hit 3:Click Physical Data, Interatomic Distances & Angles

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Analyze a specific citation

Hit 3:Click N° of Ref

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View a specific Citation: display its Title and Abstract

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Click the previous list on the Breadcrumbs to go back to the Substances (Table) tab


Go to the Substances (Grid) View

Display the number of hits you would like to see on a page

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Select some interesting complexes

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Cherry Pick your hitsClick Limit to Selection


11. How to Export only selected properties of the five hits?

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Click a chemical structure to access additionnal information and features


Select the data to be exported

Click Select DataCheck the needed propertiesClick OK

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Display the Export of the selected properties

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12. View the Bibliographic References linked to the Substances

Click the Citation tab to display the associated journals/patentslinked to your current molecules

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The Citation tab

View - Title/Abstract- All reactions in this article- Hit / All substances in this article

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13. How to use Bibliographic fields only?Search for any work done on synthesis of Hexaazatriphenylene.

Enter Author, Publication, Patent Nb, Patent Country, free text and/or publication Year

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Enter free text and combine it with the Boolean operators of your choice.


The Citation tab displays all the bibliographic references

Sort by -Publication Year (default)-Author

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Display-Title/Abstract- All Reactions & All Substances


Display of all the substances of Citation 2

Display Supplier information of Substances

Click a chemical structure to access additionnal information and features


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reaxys – an introduction

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