ChemBrain IXL - Finding a Synthesis for a Molecule, Ideas for Synthetic Pathways

A very useful feature of ChemBrain is its capability to interact between the molecule-structures section and the reactions section. Hence, it can give you at a single mouse-click a number of synthetic methods for a given molecule, sorted by their relevance for the compound in question.

In order to enable ChemBrain to suggest preparative ways to a molecule, you may either call the molecule from the molecules database to open the corresponding datasheet or draw it in the graphical input form. Either way: upon clicking on the Suggest preparative methods button in the datasheet or the Syntheses menu option in the graphical input form, you will be asked to specify whether an exact or an extended search, which ignores atom charges and hydrogen atoms, is requested.

The result of the search is generally shown as a list of abbreviated reaction schemes (see screenshots). Moving the mouse cursor over the reactions list shows the corresponding reaction titles above the list. A double-click on a particular reaction scheme immediately opens the corresponding reaction datasheet.