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Do more chemistry.
Presenting The Chemistry Toolkit
from Wiley Science Solutions.
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The Chemistry Toolkit
RxnFinder Reaction
searching to find chemistry that
works
Spectral Libraries
Conclusively identify
compounds
Current Protocols
Plan experiments using verified
protocols
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ChemInform Reaction Library (CIRX)
• 1.7 million reactions • Data from 1990 to present • 100 Journals
RxnFinder: user interface and content
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RxnFinder
Use case: Geiparvarin
Geiparvarin is a natural product found in the leaves of the Australian Willow and known as a potential anticancer drug.
A pharma researcher identifies the 5-membered ring as a potential pharmacophore and wants to find products including this ring and how these products can be synthesized.
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The geiparvarin
structure is
uploaded
The
pharmacophore
is selected
using the
structure editor
Reaction search
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Reaction search
To restrict the results, only
recent articles are selected
Reaction Substructure Search
has been chosen
Submit
query
The arrow on
the left of the
structure
indicates that a
search for
products will
take place
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Restrictions
56 hits
result.
The query is
highlighted
The Cluster
Analysis
provides another
tool to refine hit
lists.
The researcher
may be
interested in a
certain reagent
and selects it
Reactions are
classified with
InfoChem‘s
CLASSIFY
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The reaction scheme
includes a comprehensive
overview of the chemistry in
the article and is a unique
feature of RxnFinder
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No OH
protection
required if
the R
substituents
are aliphatic
Protection
required if
the R
substituents
are
aromatic
Reaction schemes
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Retro-synthesis tools
provide information
how to synthesize the
starting material
Retro-synthesis
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The Smart Article
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I want to get more
information about this
hydroquinoline
derivative
Open article
Link to Smart Article
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The compound of
interest is
highlighted in the
compound browser
All instances
of the
selected
compound
are indicated
in the text
Search
in
Wiley
Online
Library
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Analytics
RxnFinder
Current Protocols
Smart Article
Explore
Spectral Libraries Verify
Results
Experiment Synthesize
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Was my synthesis
succesful?
The researcher
synthesized the
hydroquinoline
derivative
?
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CNMR
Experimental spectrum
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The Chemistry Toolkit - Spectra
NMR signals are
assigned to the
corresponding
atoms in the
structure
Do more chemistry.
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