TUT-001

Tutorial Reaction

TUT-001

Need some help getting started?
Enter Tutorial Mode

Please note compounds drawn above or underneath the arrow will not be recognised.

Hint: You can copy & paste reaction schemes from ChemDraw by selecting the scheme and use CTRL + ALT + C to copy and then CTRL + V to paste into this sketcher









Welcome to the reaction sketcher tutorial

This tutorial leads you through the key steps in building a reaction.

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Autosave

Any changes you make to your reaction are automatically saved. Reactions can be reloaded from the relevant workgroup page.

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Reaction name and ID

The reaction name was specified when making the reaction. The reaction ID is automatically generated based on a workbook code and an incremental number.

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Reaction sketcher

Next sketch your reaction into the Marvin JS editor.

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Marvin JS Help

Consult our help guide for FAQ and how to import reactions from other editors including ChemDraw.

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Over the arrow

Note that reagents & solvents over or under the arrow are not currently supported. These may be added directly to the reaction table at the next stage.

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Proceed to Reaction Table

Once you are happy with your reaction, press "Submit" to proceed.

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Reaction name and description

The chosen reaction name is shown. There is space to record reaction description, including experimental procedure and observations.

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Reaction table

The reactant and product information is automatically filled from PubChem. You will be prompted at this point to add any novel compounds to the database. These compounds are only shared within your workbook.

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Reaction table

The required masses, equivalents, and physical forms required to proceed are highlighted in red.

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Reagents

Reagents can be added to the reaction. If the reagent is not in our database, it can be added.

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Reagents

Reagents can be added by CAS or name. If the reagent is not in the database you will be prompted to add this reagent to the database.

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Solvents

Solvents can be added to your reaction. These can be selected from our predefined list.

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Solvents

Solvent sustainability is shown in the four-tier system developed by CHEM21. Alternative solvents can be explored with the solvent guide.

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Proceed to Summary

Once you are happy with the reaction table, you may proceed to the summary.

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Summary Table

The summary gives an overview of the sustainability of the reaction, an overview of health and safety considerations, and a risk assessment.

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Summary Table

Some sustainability criteria are calculated automatically, others, like temperature and operating procedures, can be selected.

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Summary Table

After the reaction has been completed, unreacted mass and actual product mass can be entered to calculate more metrics.

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Locking a reaction

Once a reaction is fully completed, it can be locked to further editing. There is also the option to print the reaction.

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Congratulations!

You have finished this tutorial on building a reaction. You may now close this window.

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