Named reactions index

Michael addition

specified-next: primitive moves are explicit; executable guarded v2 rules are pending.

Interactive Route Player

Use next/prev to step through the route: first the current state is shown without highlight, then the next ownership move is previewed, then the move is executed. If a route snapshot changes several ownership records, the player unfolds them one at a time. Drag a node to fix it; double-click a fixed node to release it.

HEG v2 State Sketches

These panels are rendered from ownership-structured HEG v2 objects. For specified-next examples they are state sketches, not yet products of executable v2 rules.

Michael substrate HEG sketch

Michael substrate HEG sketch

Hydroxide-like nucleophile plus alpha,beta-unsaturated aldehyde.

Michael 1,4 route step 1

Michael 1,4 route step 1

Primitive snapshot: nucleophile lone pair has become a Nu-C_beta shared pair.

Michael 1,4 route step 2

Michael 1,4 route step 2

Primitive snapshot: alkene pi resource has shifted toward the carbonyl carbon.

Michael 1,4 route enolate

Michael 1,4 route enolate

Conjugate-addition enolate: carbonyl oxygen carries the anionic lone-pair resource.

Michael 1,2 route step 1

Michael 1,2 route step 1

Competing primitive snapshot: nucleophile attacks the carbonyl carbon instead of C_beta.

Michael 1,2 route alkoxide

Michael 1,2 route alkoxide

Competing carbonyl-addition state after carbonyl pi resource moves to oxygen.

DPO-like Step Panels

Each primitive snapshot is shown as L/K/R. Red marks the ownership edge removed from L, orange marks the halfedge whose owner changes, and green marks the ownership edge created in R. K keeps the common atoms, halfedges, pair objects, and unchanged ownership records. For specified-next examples this is an explanatory span derived from route snapshots, not yet a checked executable rule application.

Michael 1,4 route step 1

Michael substrate HEG sketch -> Michael 1,4 route step 1

h4: a1 -> a3

L

L panel

K

K panel

R

R panel

Michael 1,4 route step 2

Michael 1,4 route step 1 -> Michael 1,4 route step 2

h9: a3 -> a8

L

L panel

K

K panel

R

R panel

Michael 1,4 route step 3

Michael 1,4 route step 2 -> Michael 1,4 route enolate

h21: a8 -> a9

L

L panel

K

K panel

R

R panel

Michael 1,2 competitor route step 1

Michael substrate HEG sketch -> Michael 1,2 route step 1

h4: a1 -> a8

L

L panel

K

K panel

R

R panel

Michael 1,2 competitor route step 2

Michael 1,2 route step 1 -> Michael 1,2 route alkoxide

h21: a8 -> a9

L

L panel

K

K panel

R

R panel

Reaction Sketch

reaction sketch

Specified as a guarded primitive HEG mechanism. It is especially useful because it has a real alternative: direct 1,2-carbonyl addition.

Mechanism Flow

mechanism flow

Alternative Route Probe

alternative routes

Primitive Steps

nucleophile lone pair forms bond to beta carbon

lone pair to shared pair: LP(Nu) -> sigma(Nu,C_beta)

requires conjugated C_alpha=C_beta-C=O acceptor and no existing Nu-C_beta bond

alkene pi pair shifts toward alpha carbon

shared pair endpoint transfer: pi(C_alpha,C_beta) -> pi(C_carbonyl,C_alpha) or enolate C_alpha resource

requires conjugated pi system and correct atom ordering

carbonyl pi pair becomes oxygen lone pair

shared pair to lone pair: pi(C_carbonyl,O) -> LP(O)

requires carbonyl pi resource

enolate is protonated

lone pair to shared pair: LP(enolate atom) -> sigma(enolate atom,H)

requires proton donor and admissible product

Guards and Alternatives

Guards

  • acceptor must be alpha,beta-unsaturated carbonyl, not an isolated alkene.
  • nucleophile must be compatible with conjugate attack.
  • 1,2-carbonyl addition should be a separate competing guarded rule, not an accidental match of this rule.

Route probes

  • 1,4-Michael addition vs 1,2-carbonyl addition is a genuine alternative route search target.
  • Hard/soft nucleophile policy can be encoded as rule availability weights or guards later.

Files