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Re: Combinatorial Library [message #2161 is a reply to message #2157] |
Tue, 16 April 2024 22:18 ![Go to previous message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) ![Go to next message Go to next message](/forum/theme/myThemeWithHFCSS/images/down.png) |
nbehrnd
Messages: 215 Registered: June 2019
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Senior Member |
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Hi becky26,
based on the screen photos shared by you, I set up a small combinatorial library with 10 by 10 reagents proposed by DW (version 06.01.03 in Linux Debian). There was no particular problem observed, many different products were generated (though no oxadiazole), see the .zip archive attached below. There however is a small discrepancy between the reaction scheme you report with CombLib1.png (a two component reaction) vs the reagent array you eventually used (CombLib2.png) indicating three components to yield the product.
Norwid
[Updated on: Tue, 16 April 2024 22:19] Report message to a moderator
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Re: Combinatorial Library [message #2181 is a reply to message #2161] |
Wed, 24 April 2024 14:04 ![Go to previous message Go to previous message](/forum/theme/myThemeWithHFCSS/images/up.png) |
thomas
Messages: 693 Registered: June 2014
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Senior Member |
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the resolution of you first image is a little low, but it seems that the atoms of your first reactant are not mapped to product atoms. In that case DataWarrior assumes the atoms in the product are not coming from the reactant and will not consider that reactant.
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