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AsciiC6hem

Reaction mechanisms

A mechanism captures a multi-step reaction pathway with optional spectator ions.

Syntax

Section titled “Syntax”
mechanism{
  label: reaction
  label: reaction
  spectator: ion1 ion2 ...
}

Each line is a key: value pair. Keys other than spectator are step labels (e.g. step1, step2).

Example: SN2 mechanism

Section titled “Example: SN2 mechanism”
Source Rendered
mechanism{
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step1: OH- + CH3Br -> CH3OH + Br-
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spectator: Na+
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}
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Example: multi-step

Section titled “Example: multi-step”
Source Rendered
mechanism{
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step1: A + B -> C
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step2: C -> D + E
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spectator: Na+ K+
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}
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Validation (v0.18+)

Section titled “Validation (v0.18+)”

Each entry must have a : separator. Malformed entries raise ParseError at parse time with the offending line number.

CML wire (v0.11+)

Section titled “CML wire (v0.11+)”

Emits as <reaction> with <mechanism> child:

<reaction>
  <mechanism title="mechanism{...}" convention="asciichem:text"/>
</reaction>

Future enhancement: structural <reactionStepList> with per-step reaction elements.

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