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Library monomer correction #4954

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AlexeyGirin opened this issue Jul 1, 2024 · 1 comment
Open

Library monomer correction #4954

AlexeyGirin opened this issue Jul 1, 2024 · 1 comment
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Priority: High Test Cases Written Test cases has been written for that issue

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@AlexeyGirin
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AlexeyGirin commented Jul 1, 2024

Background
In 2.23-rc.1 we implemented that version of 4-Formylbenzamide:
Location in the library: CHEM
Name in the library: 4-Formylbenzamide
Abbreviation in the library: 4FB
Attachment points/leaving groups: R1=NH2, R2=O

Problem:
Current implementation of attachment points is 'hidden' hydrogen that is one valence. That is why we can't make R2=O because it is two-valence

Solution
Replace that monomer with another one:

Location in the library: CHEM
Name in the library: 4-Formylbenzamide
Abbreviation in the library: 4FB
Attachment points/leaving groups: R1=NH2, R2=CHO
4-Formylbenzamide (1).zip

Alternatives
Re-implement current implementation :-)

@AlexeyGirin AlexeyGirin added this to the Ketcher 2.23.0-rc.2 milestone Jul 1, 2024
@rrodionov91 rrodionov91 self-assigned this Jul 3, 2024
@AlexeyGirin AlexeyGirin added the Test Cases Written Test cases has been written for that issue label Jul 17, 2024
@AlexeyGirin
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No test cases needed for that particular feature

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