Intra halogen migration family#546
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the top part of the tree was hand-made, and tree extensions and bm rules were made using autotree script. Note: there is no training reactions for `R2Br` so this node was removed
The molecules are only labels with *1,*2, and *3
mazeau
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Nov 15, 2021
mazeau
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This looks good to me. Everything was done using autogen trees and even though some of the regression tests failed, I can't see how the addition of this family could pose any problems
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Added
intra_halogen_migrationreaction family. This family is similar tointra_H_migrationexcept the H is a halogen atom (F,Cl,Br).I calculated 15 training reactions and created a semi-automated tree by handwriting the top nodes, and using the auto tree script to make more extensions based on the training reactions.