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The ISICCR database opens in ChemFinder.
The Search menu should appear as follows:
Administrator
O
O
OH
O
TableFormISICCR 275 dpi
O
O
Searching for Reactants
Searching for reactants is useful if you have a
known starting material and you are interested in
learning more about what substances it can
produce.
For example, to search for Grignard reactions, or
reactants:
1. From the Search menu, choose Enter Query.
The form clears.
2. Double-click in the Structure box.
The ChemDraw ActiveX toolbar appears.
3. Draw the following:
Mg
X
This structure represents a carbon atom
bonded to a magnesium atom, which is bonded
to any type of halogen. The arrow at the right
indicates that you are looking for this
substructure as a reactant.
4. From the Search menu, select Substructure if
it is not already selected.
5. From the Search menu, deselect Similarity if it
is already selected.
O
OH
O
O
O
6. From the Search menu, choose Find.
ChemFinder searches. The progress of the search is
indicated by counters in the status bar at the bottom
of the window.
When the search is complete, the number of hits is
displayed in the Current List Size window of the
Status Bar, and the form displays the first hit. In a
substructure search, the matched portion of each
molecule is highlighted in red.
MgXHit 40%
Rxn O
N +
O -
+
Br
Mg
You get 3 hits—reactions in which an alkyl
magnesium halide is consumed. Browse the list of
three hits as in previous tutorials.
Searching for Products
In the next exercise, you search for information on
a particular reaction product. Searching for
products of reactions is very common in syntheses,
where you know what you are aiming for but you
Rxn
Rxn
O
N +
O -
244•ChemFinder Tutorials
CambridgeSoft
Tutorial 5: Reaction Queries