Skip to content

Conversation

@KEHANG
Copy link
Member

@KEHANG KEHANG commented Sep 29, 2015

This PR added several aromatic groups to forbidden groups of two families

  • Diels_Alder_Addition: e.g., benzene cannot serve as a diene
  • R_Addition_MultipleBond
  • 2+2_cycloaddition_Cd

@KEHANG KEHANG changed the title Add aromatic groups to forbidden groups of Diels_Alder_Addition and R_Addition_MultipleBond families Add Retroen family and add aromatic groups to forbidden groups of Diels_Alder_Addition and R_Addition_MultipleBond families Oct 15, 2015
KEHANG and others added 3 commits January 28, 2016 13:57
Benzene double bond generally cannot react in R_Addition_MultipleBond family
Benzene is generally not reactive as a diene or
dienophile in Diels_Alder_Addition.
These reactions were the first to be added when
generating a hexylbenzene pyrolysis mechanism.  They
are definitely meant for double bonds that don't have
aromatic character.
@connie connie changed the title Add Retroen family and add aromatic groups to forbidden groups of Diels_Alder_Addition and R_Addition_MultipleBond families Add aromatic forbidden groups to Diels_Alder_Addition, R_Addition_MultipleBond, and 2+2_cycloaddition_Cd Jan 28, 2016
connie added a commit that referenced this pull request Jan 28, 2016
Add aromatic forbidden groups to Diels_Alder_Addition, R_Addition_MultipleBond, and 2+2_cycloaddition_Cd
@connie connie merged commit b00a89c into master Jan 28, 2016
@connie connie deleted the forbidden_groups branch January 28, 2016 19:03
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants