Reaxys Atoms Bonds

Generic Query Atom

A Any atom except H
AH Any atom including H

Q Heteroatom - any atom except C and 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

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