Use this search option to search for a single compound, for example by entering a structure, name or molecular formula as search query, but also other terms.
A search for a compound is very similar to a search for a reaction.
1. Double-click to go to the structure editor. Draw the structure.
2. Select how to search the structure. Substructure search means that the database also searches for compounds with more substituents
3. Check the options to make your search query more specific or to broaden your search.
4. Here you can enter more requirements that the results must meet.
5. Use these options to also search by molecular formula, for example, or even alloy. Choose Add/remove fields to add fields.
6. Search!
Overview results:
1. These breadcrumbs make it easy to navigate to earlier sets of results. Each filter creates a new breadcrumb.
2. Here you can filter your results on reaction type, number of steps, yield, and so on.
3. Check results to exclude them, for example (Exclude).
4. You can set how you see the results using these tabs.
5. A summary of the results. Each result shows the reaction, a brief description of the experiment and the reference in which it was found.
Read how to save your results on the Tips tab.
If you zoom in on the results you can see more options beneath each compound.
The four icons, from left to right:
Availability
Check the commercial availability of this compound using ACD or CambridgeSoft.
Display further options and data
For example CAS number or molecular weight (MW), but you can also copy the structure using this button.
Enlarge structure and rotate in 3D
Note: the structure will remain flat.
Show corresponding substances in...
Shows the information in PubChem or eMolecules.
Synthesize
Use the Synthesize button to create a synthesis plan in Reaxys. This is explained in the Synthesis plan tab.
Show details
Click on Show details to see a list of all available bibliographic data (example, right). Here you can find the boiling point, for example, or NMR spectrum data. Natural Product shows articles about isolation of the compound from nature.
