Reaction optimisation table template

A Suzuki coupling screen as Table 1: entry, catalyst (mol%), base, solvent, T and yield, with the optimum in bold, a no-catalyst control and a/b/c footnotes; all values are example data.

What the template shows

• The screening table under the model reaction, ACS style: three rules, footnotes, optimum in bold
• Model reaction and screen (example data)
• Table 1. Optimization of the Reaction Conditionsᵃ
• Catalyst (mol%)
• Pd(OAc)₂ (5), PPh₃ (10)
• ᵃ Conditions: 1a (0.50 mmol), 2a (0.75 mmol), base (2.0 equiv), solvent (4:1, 2.5 mL), 12 h, under N₂. ᵇ Isolated yield. ᶜ Without catalyst.
• Example data for layout only, not measured results: replace with your own.
• Change one variable at a time and keep the order of the screen (catalyst → base → solvent → loading → temperature).
• Set the chosen conditions in bold and say in the text why (yield, cost, loading).
• Include the controls: no catalyst, no base, no ligand.
• Footnotes: a general conditions, b how the yield was measured (isolated, NMR with internal standard, GC), c exceptions.
• Every value in the table is example data · every part of this figure is editable

Drawn with 32 atoms, 1 arrow, 5 shapes – every one editable in MolDraw.

Sources

• Coghill & Garson, The ACS Style Guide, 3rd ed., ACS/OUP 2006 Textbook
• Miyaura & Suzuki, Chem. Rev. 1995, 95, 2457 Review