ISIS/REACCS Instruction Sheet

1. Double click the IRDAS 1.3 icon to begin the search program. When the program requests the host password, enter the code isis 21. The space is necessary.

2. Select the type of search by single clicking the appropriate window in IRDAS (either (1) Paste Reaction window for a reaction search or (2) Paste Structure window and either the Reac button ( ) for reactant or the Prod button ( ) for product for a substructure search) .

3. Single click the ISIS/Draw icon ( ) in the upper left hand corner of the screen. This will transfer you to the drawing program.

4. Draw the reaction or substructure you wish to search.

- For reactions without fragments (i.e., whole molecules only) enter the equation as you would write it out with addition signs ( )between multiple reactants and multiple products and an arrow ( )between the reactant side and the product side.

- For fragmented reactants and products, such as a primary and secondary alcohol in the same molecule, draw the fragments of each reactant, then highlight the fragments of the first reactant and 'group' them by selecting the Group command under the Object menu. Repeat this process for each reactant and product individually. Place an arrow between reactants and products.

- For a substructure search, when you wish to search for either reactant or product, simply draw the structure you wish to find.

5. Return to the search program by single clicking the ISIS/Base icon ( ) in the upper left corner of the screen. This will take a little time. Depending on the type of search you are doing, either the auto-mapped reaction or the substructure will appear in IRDAS. (Note: If you are performing a reaction search, be sure the carbon numbering is correct. If not, single click the Clean Mapping button ( ) in the upper right corner and return to ISIS/Draw and make corrections.)

6. Pull down the Search menu and select either RSS for reaction search or SSS for substructure search.

7. After some time, the program will display the results of the search. To scan the results, use the up/down arrow buttons on the far left of the screen.

- Go to the first item.

- Go to the previous item.

- Go to a specific item.

- Go to the next item.

- Go to the last item.

8. To return to your original query, single click the Query button ( ) at the top.

9. To do additional searches, highlight the appropriate window, be sure it is blank (or press the delete key), then single click the ISIS/Draw icon.