ReactionMechanismGenerator / ReactionMechanismGenerator/RMG-database
Diels-Alder reactions of cyclopentene and 1,4-pentadiene are missing
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- Dominant language
- Python
- Stars
- 127
- Forks
- 160
- Avg merge
- 6d 2h
- Merged PRs (30d)
- 2
Description
These should react via Diels-Alder to form JP-10 at the 2,4 positions of pentadiene.
This is what the RMG website currently gives.
Contributor guide
No contributing guide indexed for this repository
First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
No files, tests, or entry points are named. Start by locating the database entries for cyclopentene and 1,4-pentadiene, then compare their behavior with the RMG website result shown in the issue. Done means the Diels-Alder reaction forms JP-10 at the stated 2,4 positions.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- databases
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100