Synthesis of given target molecules can be planned interactively with the synthesis-planning tool Synthesis Tree Search (STS).
To conduct a search, either:
click on the menu option on the left-hand side
or click on the STS icon in a results window.
This will open a new STS window.
Search Fields
The drop down menu allows a number of text or numeric search fields to be selected
The logical operator will
change depending on whether
the query is text:
or numeric:
You can also combine this with a structure (Exact, Substructure, Parent, Tautomer, Isomer or Flex match) using your choice of structure drawing program (ICedit, ISIS/Draw or ChemDraw)
Enter your query then click the search button
Molecules highlighted in RED are not part of any reaction so choose one of the others and click the search button again.
LEFT-click on the molecule to see a menu.
You can then Add molecule to Tree Overview. Click to see the results.
Again LEFT-click on the molecule to see a menu and choose Show all synthesis reactions
Choose reactants from the new reactions and add them to the reaction tree. In this way a Synthesis Tree can be built up.
LEFT-click on the final reactant of choice and move your mouse over the Show synthesis path to target option. All the molecules involved are highlighted in green.
Click this option to see the synthesis path as steps.
Click on Details to see the reaction details and reference.
in a results window.
to see the results.
