{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126569938",
  "ord_data_issue": null,
  "title": "Discovery of unexpectedly complex reaction pathways for the Knorr pyrazole synthesis via transient flow",
  "doi": "10.1039/D2RE00271J",
  "journal": "Reaction Chemistry & Engineering",
  "publication_date": "2022-09-12",
  "authors": [
    "Linden Schrecker",
    "Joachim Dickhaut",
    "Christian Holtze",
    "Philipp Staehle",
    "Marcel Vrânceanu",
    "Klaus Hellgardt",
    "King Kuok Hii"
  ],
  "article_open_access": {
    "status": "hybrid",
    "license": "cc-by"
  },
  "dataset_size_estimate": 500,
  "experiment_type": "transient flow kinetics",
  "ord_priority": "Medium",
  "ord_difficulty": "Hard",
  "source_data_kind": "author_request_needed",
  "smiles_in_source": "unknown",
  "needs_author_contact": true,
  "data_locations": [
    {
      "url": "https://doi.org/10.1039/D2RE00271J",
      "what": "Reaction Chemistry & Engineering article. RSC landing and HTML pages returned a bot-challenge, so SI contents are unknown.",
      "license": "CC-BY 3.0 (article, per Crossref)"
    },
    {
      "url": "https://zenodo.org/search?q=%22Knorr%20pyrazole%22%20transient",
      "what": "Zenodo (and figshare) search for a data deposit. No matching dataset found.",
      "license": "n/a"
    }
  ],
  "notes": "Knorr pyrazole synthesis studied by transient-flow kinetics, about 500 data points. The article is open access (CC-BY 3.0). No public machine-readable data deposit was found, and the curator notes indicate that the data must be requested from the authors. RSC SI could not be inspected automatically. Transient-flow experiments produce continuous concentration-time profiles, not discrete batch reactions. Before any curation starts, the ORD representation must be agreed: flow setup, residence time ramps, and how time-course measurements map to ReactionOutcome/ProductMeasurement entries. Reactant structures (hydrazines, 1,3-diketones) are simple to express as SMILES.",
  "verification_caveats": "Transient flow: one experiment yields a time-series, so the choice between splitting into many reactions and using time-course outcomes is non-trivial. Kinetic intermediates and side products may be reported only as model species. Automated validation cannot tell whether a flow ramp was sampled faithfully."
}