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Re: Bug in how stereochemistry is reported [message #1240 is a reply to message #1239]

Thu, 04 March 2021 09:50

richards99
Messages: 42
Registered: May 2020
Location: UK

Member

There also seems to be issues with it accepting chiral atoms next to Nitrile groups. For example, if you paste this made up structure into DataWarrior, it should have two chiral atoms, as defined in the SMILES, but it does not create two chiral atoms:

CC[C@H](O)[C@@H](CC1=CC=CC=C1)C#N

Thanks,
Simon.

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[Message index]

		Bug in how stereochemistry is reported By: richards99 on Fri, 08 January 2021 11:52
		Re: Bug in how stereochemistry is reported By: thomas on Wed, 13 January 2021 17:51
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 04 March 2021 09:44
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 04 March 2021 09:50
		Re: Bug in how stereochemistry is reported By: thomas on Tue, 09 March 2021 16:01
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 11 March 2021 09:26
		Re: Bug in how stereochemistry is reported By: richards99 on Thu, 11 March 2021 13:19
		Re: Bug in how stereochemistry is reported By: thomas on Fri, 12 March 2021 15:34
		Re: Bug in how stereochemistry is reported By: richards99 on Mon, 15 March 2021 09:21
		Re: Bug in how stereochemistry is reported By: tryckmans@ridgelinediscov on Mon, 24 July 2023 14:01
		Re: Bug in how stereochemistry is reported By: thomas on Thu, 27 July 2023 19:45

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