Atom Maps:

The map is essentially a 'hint' about the underlying reaction mechanism. The mechanism may or may not be reflected in the connectivity changes over the reaction.

  • Atom maps are a 'class' property for the atoms in the reaction, excluding the agent atoms.

  • Values are numbers, without intrinsic meaning. The system may (and does) renumber and reorder them.

    Very similar to ring-bond digits: they are interpreted on input, within the toolkit they are 'invisible', the system will generate them on output.

  • An atom map is optional. Can be omitted, or only partially included.

  • No requirements for completeness, "chemical sensibility". Independent of the underlying connectivity.

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