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Racemisation of the reacting centre in the radical couplings - #5

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FabianKruger merged 1 commit into
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coupling-racemisation
Aug 5, 2026
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Racemisation of the reacting centre in the radical couplings#5
FabianKruger merged 1 commit into
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coupling-racemisation

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deoxygenative_coupling and cross_electrophile_coupling were keeping the reactant's
configuration at the reacting carbon, but both pass through a planar alkyl radical, so it
should be lost. Tagged on the reactant side only (RDKit's way to discard a configuration)
across 120/120 deoxygenative and 52/196 cross-electrophile templates, leaving stereocentres
elsewhere in the molecule untouched.

…coupling and cross_electrophile_coupling pass through a planar alkyl radical, so the reacting carbon loses its configuration rather than keeping it. Marked at template level; stereocentres elsewhere in the molecule are untouched
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FabianKruger merged commit fe04b80 into main Aug 5, 2026
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FabianKruger deleted the coupling-racemisation branch August 5, 2026 11:23
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