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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