epam / epam/Indigo

Allenes are mapped incorrectly using Reaction Auto-Mapping Tool

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#263 0 comments 0 reactions 1 assignee Claimed by @mkviatkovskii View on GitHub
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Description

**Description:**
The issue was discussed with Alexander Savelyev.
When mapping allenes.rxn file using Reaction Auto-Mapping Tool, atom pairs are mapped incorrectly.

[allenes.zip](https://github.com/epam/Indigo/files/7527202/allenes.zip)

**Steps to reproduce:**
Execute /automap endpoint in remote mode with the following params:
[request.txt](https://github.com/epam/Indigo/files/7527223/request.txt)

**Actual result:**
Duplicates are present after mapping (1-1-1, 2-2-2)

[response.txt](https://github.com/epam/Indigo/files/7527262/response.txt)
**Expected result:**
There are no duplicates after using Reaction Auto-Mapping Tool.

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