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REAXYS Structure Editor View >Transfer: Rotate (F7), Zoom (F6), Sketch (F5) Chemistry > Clean 2D (CTRL-2) Undo Select More Templates REAXYS Generics Erase Common atoms Bonds Reaction arrow / Map atom Blank tool Right-click any atom:

REAXYS Structure Editor – Periodic System – Advanced tab

Generic query atoms

A Any atom except H AH Any atom including H Q Heteroatom - any atom except C,H QH Any atom except C M Any metal MH Any metal or H X Any halogen XH Any halogen or H

Atom query properties

Increase/Decrease; .H+ Total number of attached hydrogens .V+ Valence - sum of bond orders .X+ Number of connections /substitutions (incl. H) .R+ Rings count: number of rings atom is member of .r+ Smallest ring size .rb+ Ring bond count: 0-3 exact ring bond count, 4: 4 or more ring bonds .s+ Substitution count (non-H) .h+ Number of implicit hydrogens .D+ Number of explicit connections .u Unsaturated atom (double/triple/aromatic bond) .a/A only aromatic (a), only aliphatic (A), both (A,a)

Special nodes

: LP Lone pair Pol "Pseudoatom" (polymers) * Unspecified end group in polymers

REAXYS: Author-name variability Next step: Transfer + Search for Joergensen, K > 300 + extra hits

REAXYS: Author search > Select reactions or substances

REAXYS: Substructure search – any role http://chem.wikidot.com/patents eMolecules / Symyx ACD Discovery Gate –

not available

Reaxys: partial control of substructure Build molecule, highlight with lasso tool, right click: create R(esidue)-group + Attachment point Mapping atoms: draw a reaction arrow from reactant atom to same atom in product

REAXYS: Plan a Synthesis First choice = actual reaction scheme – change sorting order or select from list below + Add

REAXYS > Substance Properties – Substructure search

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