Reactor processes reagent(s) according to a given reaction equation. Reactor will search the reaction equation specified substructure in reactant molecules, and combine them according to the specified product structure. Reaction equation can be specified:
in a reaction file (RXN, RDF, and MRV); or,
as SMIRKS/SMARTS strings.
If the reaction is given in RDF or MRV format, it is possible to set reaction rules, reactant standardization, and some additional properties in RDF/MRV tags.
The reaction string is a reaction SMARTS, optionally followed by reaction rules separated by "..", with the following prefixes:
"r:" - reactivity rule (including exlude rule AND-ed in negated form)
"s:" - selectivity rule(s)
"t:" - selectivity tolerance(s)