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Your Presenter: Christine Flemming Your Host: Anne-Marie Roche Welcome to our Reaxys webinar! Getting the Most out of MarvinSketch

Getting the most from marvinSketch webinar oct16

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Page 1: Getting the most from marvinSketch webinar oct16

Your Presenter: Christine Flemming

Your Host: Anne-Marie Roche

Welcome to our Reaxys webinar!

Getting the Most out of MarvinSketch

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Need to know

• Webinar control panel:‘chat’ for questions or ‘ask a question’minimize option for full screen view

• Q&A after presentation

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Structure Editors

MarvinSketch

Elemental

GGA Ketcher

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IP access Log in

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Copy Paste

Copy and Paste “1-methyltryptamine”

1-methyltryptamine

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Flip

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Shortcuts

Mouse wheel scrolls canvas vertically

F6 resizes the structure

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FuseSprout

Undo

Undo button

Attaching Templates

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Add a single bond and type cooh

Abbreviation Groups

Templates>Groups

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Bond Shortcuts

Type “1”, “2”, or “3” for single, double, or triple bonds

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Select a portion

Press the space bar once

Hit spacebar a third time

Hit spacebar a second time

Stretch the bond

Rotate the bond in 2D

Rotate the bond in 3D

How to Move or Rotate a portion of the structure

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Search for (E) And (Z) Stereochemistry

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Results

The search retrieves both E and Z

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Add (E) And (Z) Stereochemistry Bond

Right click

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Search Again

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Create a template

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Up and Down Bonds

The search retrieves only beta-D

The query shows beta-D

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Up and Down Bonds – Ignore Stereo

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Draw the (R) configuration

Right click

(R) configuration

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(R) and (S): ReactionsRitalin

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Inversion of configuration

Apply the “Inv” label, then search by

substructure.

4 reactions are retrieved.

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Retention of configuration

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Make or Break a Bond

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Audience Poll: Voted for “Position Variation Bond” and “Link Nodes”

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Link Nodes

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Thank You

For more information and questions please contact [email protected]

Our next Reaxys webinar is scheduled for Thursday, Oct. 18 and will be an Introduction to Reaxys

Please fill out the survey that appears on your screen after leaving the webinar.

Go to www.trainingdesk.elsevier.com/reaxys for all training related materials