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retrosynthesis

One post tagged retrosynthesis.

Apr 28, 2026

Reactions and retrosynthesis from 1985 to today

How reactions are written down and searched backwards, from RXN files, reaction SMILES and SMIRKS to the USPTO and ORD datasets and open retrosynthesis tools.

reactionsretrosynthesisnotationssmiles
Henry reactionbase
O + N+OO− O−N+O
Benzaldehyde1.0 equiv10.6 gNitromethane1.0 equiv6.1 gn-Butylamine0.1 equiv0.73 g
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