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Onto2DChemical Synthesis History
Chemical Synthesis HistoryVerifying artifact

Recorded history / identity / chemistry

Same molecule.
Different history.

An exact product identifier tells us what the record says was obtained. It does not tell us which reactants, catalyst, base, additive, or reaction record got there.

Source
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Case identity
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Source identity
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Evidence
13 selected native ORD records

01 / Same target, different records

Choose an exact product identifier

The five controls are the complete product groups in the pinned 4,312-record dataset. Each comparison uses deterministic measured-yield extrema, not hand-picked winners.

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EXACT SOURCE SMILES=same recorded product identifier
Same target identifier?
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Same ORD record?
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Same route identity?
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Recorded yield gap
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02 / Stronger continuity evidence

When records actually point to each other

The islatravir cohort is different: later ORD inputs carry native reaction_id references to earlier records. That supports material continuity; matching compound text alone does not.

Why the arrows matter. They represent native source references, not a route inferred from similar chemical strings. The duplicated first reference is preserved exactly.

03 / Declared analysis space

Four routes, one admissible chain

Counterfactual shortcuts make the comparison finite. They are graph hypotheses only; none is promoted to actual chemistry.

04 / Bounded Onto2D result

What Historical Load means here

+2
3 - 1 = +2

Read the result at the right level

Source record

ORD IDs, source strings, inputs, conditions, workups, outcomes, measurements, DOI provenance, and cross-references.

Derived comparison

Exact-string groups, route identities, extrema pairs, and the two +2 Historical Load calculations.

Counterfactual

Three declared shortcuts used to bound the calculation. Their chemical feasibility is unknown.

Not claimed

No canonical chemistry equivalence, mechanism, physical batch without a source reference, safety, economic cost, or universal route score.