Based on known reactions in CASREACT, the plan displays viable synthetic steps to the target substance.
Important: Retrosynthesis plans expire 30 days after the date they are first generated.
Download Plan
Download the plan in PDF format.
Edit Plan
Click the Edit link to edit the parameters for plan generation and submit a revised plan.
Note: The original plan remains, and revisions are reflected in a new plan.
Edit Starting Cost Material Limit
For each step in the plan, the retrosynthetic search compares precursors to commercially available compounds. A plan terminates when it reaches either a starting material's cost limit or the synthetic depth limit. The default limit is $1,000 USD/mol or $10 USD/g.
Note: The cost limit at which a plan is run is retained for further plan generation.
Edit Structure
Click the Edit button above the target molecule to edit the structure and generate a new plan.
Exclude Structure
Click the Exclude button to exclude a structure from the plan, which will automatically refresh. You can also view and recover the excluded structure.
Save Plan
Click the ribbon icon to save the plan.
Toggle Predicted Steps
Click the toggle switch to display/hide predicted steps in the plan and alternatives.
View Excluded Plan Structures/Steps
View excluded structures and steps for the plan with the option to reintroduce them if you are the plan owner.
Note: The ability to exclude options and view excluded options is only available when Predicted Results are switched ON.
View Plan Steps
Click the All Steps to view individual plan steps and options.
View Step Options
Click the reaction node to view/select a step's alternatives and evidence, and to exclude a step from the plan.
View Substance Information
Click a structure image to view substance information, download the image as a .png file, and create a new retrosynthesis plan based on the substance.
View Suppliers
Click the shopping cart below a structure image to view a list of substance suppliers.
Zoom Plan View
Click + or - to zoom the plan in or out. Click Reset to return to default the view. You may also use the scroll wheel on your mouse. Click-and-drag the plan to move it.