Synthetic strategies

What is a synthetic route?

Synthetic routes are the concatenation of several chemical reactions in which the product of one serves as the reagent for the next one. It is a widely spread concept in organic chemistry to design the possible preparation of a target molecule that involves several steps.

ORCOD LabBook Pro offers a useful tool to quickly obtain synthetic routes, once the different chemical reactions have been entered into the ORCOD scheme. The program can concatenate them strategically to get the desired product. The only requisite to use this tool is that the involved compounds must have their corresponding code assigned.

How to sketch synthetic routes?
  • Think of a compound for which you wish to sketch the synthetic route and select a reaction of the scheme where it appear (either as reagent or product).
  • Right-click on the desired compound and choose the Synthetic route option.
  • In the screen that will appear, the different routes contained in the scheme that make it possible to prepare the desired compound are presented. Choose between presenting the route as a Summary (only the compound codes are indicated) or in Detail (with full specification of molecular structures and reaction conditions).

If more than one synthetic route is available, it will be indicated on the left list.

How to analyze the efficiency of a synthetic route?
  • Think of a compound for which you wish to sketch the synthetic route and select a reaction of the scheme where it appear (either as reagent or product).
  • Right-click on the desired compound and choose the Synthetic route option.
  • In the screen that will appear, select any route in the left list.
  • Click on the Evolution analysis button.
How to compare the efficiency of several synthetic routes?
  • Think of a compound for which you wish to sketch the synthetic routes and select a reaction of the scheme where it appear (either as reagent or product).
  • Right-click on the desired compound and choose the Synthetic route option.
  • In the screen that will appear, click on Routes comparison button. Note that this button will only appear if more than one route is available.
How to get a recommendation on which synthetic route is the best to obtain the same target?
  • Think of a compound for which you wish to sketch the synthetic routes and select a reaction of the scheme where it appear (either as reagent or product).
  • Right-click on the desired compound and choose the Synthetic route option.
  • In the screen that will appear, click on Routes comparison button. Note that this button will only appear if more than one route is available.
  • Look at the Recommended synthetic route section at the bottom of the screen.
How to compare at a glance the molecular properties and the predicted spectra (IR, NMR and MS) of the synthetic intermediates?
  • Think of a compound for which you wish to sketch the synthetic routes and select a reaction of the scheme where it appear (either as reagent or product).
  • Right-click on the desired compound and choose the Synthetic route option.
  • In the screen that will appear, click on the Experimental monitoring button.
How to release a report with the details of a synthetic route?
  • Think of a compound for which you wish to sketch the synthetic route and select a reaction of the scheme where it appear (either as reagent or product).
  • Right-click on the desired compound and choose the Synthetic route option.
  • In the screen that will appear, select any route in the left list.
  • Click on the Print report button. You will be asked to specify the path where you wish to release the report in PDF format.
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