Reaction Cards

Click on any reaction node to see the reaction name and scheme in a pop-up window. Open the three-dot menu to see the following options:

• More information: Open the molecule card to see detailed information about the reaction
• Add to clipboard: Send the molecule to the clipboard in the left panel (see “Clipboard” for more details)
  
• Copy reaction: Copy the reaction in rxn format to your computer’s clipboard, paste into any molecule editor
• Add filter: Use the reaction as a filter to exclude or view only pathways containing it (see “Filters” for more details)

Select ‘More information’ to open the reaction card.

Details

The ‘Details’ tab displays additional information about the selected reaction, including typical reaction conditions, retrosynthesis ID, and illustrative references. Click on a reference DOI to open a link to the original article.

When a reaction has protection requirements, is not selective, or is only diastereoselective, a warning sign is shown in the upper right of the reaction, along with a corresponding indication.

Protections

This tab displays which functional groups may need to be protected, as well as suggested protecting groups that will be compatible with the reaction conditions.

It is important to note that the list of compatible protecting groups is not exhaustive. SYNTHIA™ will only list a few options, even if there are many different possible protecting groups that could be used in a specific reaction.

Similar Reactions

Select this option to search the published reaction database for similar reactions that may have appeared in scientific literature. If the proposed transformation is found on similar substrates, these reactions will be listed, along with the name of the article, the percent similarity to the proposed transformation, the published yield and reaction conditions, and the reference.

Side Reactions

Selecting this option will query the reaction rules to predict possible side reactions for the proposed transformation. The potential reactions listed are not necessarily predicted to occur, but they may explain possible side products you may encounter when running this reaction. Not every transformation will have predicted side reactions.

Feedback on Reactions

If a reaction looks unrealistic, you can send direct feedback to the SYNTHIA™ team by using the ‘Thumbs down’ icon found in the central section of the ‘Details’ window.

In the pop-up window, select the issue from a preset menu, and add detailed comments.

To help the SYNTHIA™ team determine if a correction needs to be made to the corresponding rule, the reaction scheme will be sent along with the information you entered. If you do not wish to share confidential information, you may modify the reaction scheme in the molecule editor before it is sent to the team.

Note: Significant modifications of the reaction scheme may result in loss of meaningful information, and prevent the team from understanding and resolving the issue.

On the other hand, if a reaction looks particularly interesting, you may share this feedback with the SYNTHIA™ team by using the ‘Thumbs up’ icon found in the central section of the ‘Details’ window.

In the pop-up window, select an explanation from a preset menu and add any comments.

The reaction scheme will be sent along with the information you entered. If you do not want to share confidential information, you may modify the reaction scheme in the molecule editor before it is sent to the team.