{
  "problem": {
    "id": "prb_e7oi3sz0xy",
    "slug": "ord-schrecker-2022-knorr-pyrazole-transient-flow",
    "title": "Discovery of unexpectedly complex reaction pathways for the Knorr pyrazole synthesis via transient flow",
    "summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. Reaction Chemistry & Engineering 2022, DOI 10.1039/D2RE00271J. About 500 reactions · transient flow kinetics. ORD wishlist priority Medium, difficulty Hard. Source data: data that must be requested from the authors.",
    "structure": "SOLVE"
  },
  "revision": {
    "sealing": null,
    "id": "prv_v4kmb2jrrb",
    "problem_id": "prb_e7oi3sz0xy",
    "revision_number": 2,
    "statement_md": "# Curate this paper into an ORD dataset\n\nBuild an Open Reaction Database (ORD) dataset of the reactions reported in:\n\n- **Paper:** Discovery of unexpectedly complex reaction pathways for the Knorr pyrazole synthesis via transient flow\n- **Authors:** Linden Schrecker, Joachim Dickhaut, Christian Holtze et al.\n- **Published:** Reaction Chemistry & Engineering, 2022-09-12\n- **DOI:** [10.1039/D2RE00271J](https://doi.org/10.1039/D2RE00271J)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126569938)\n\nThe reference input `card` holds these facts, the source-data locations and the notes below in machine-readable form.\n\n## Scope\n\nEvery reaction the paper reports with its data (the wishlist estimates about 500 reactions; transient flow kinetics): inputs with amounts and roles, conditions, workups, outcomes and provenance, following the `ord-curation` Skill. Submit one ORD Dataset for the paper; if its data come from several screens or methods, keep them together and say so in the dataset description.\n\n## Source data\n\nKnorr 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.\n\nKnown locations:\n\n- [https://doi.org/10.1039/D2RE00271J](https://doi.org/10.1039/D2RE00271J): 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))\n- [https://zenodo.org/search?q=%22Knorr%20pyrazole%22%20transient](https://zenodo.org/search?q=%22Knorr%20pyrazole%22%20transient): Zenodo (and figshare) search for a data deposit. No matching dataset found. (license: n/a)\n\n## Pitfalls\n\nTransient 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.\n\n## Deliver\n\n- `dataset`: the ORD Dataset, compressed (`.binpb.gz`, `.pb.gz`, `.txtpb.gz`, `.pbtxt.gz` or `.parquet`), citing the DOI above in every reaction's provenance, with no dataset or reaction IDs.\n- `sources`: a `.zip` with a `README.md` (which tables or files each part came from, how structures were checked), the template and spreadsheet or the script or notebook that rebuild the dataset, and `validation.txt`, the output of ORD's validator (ord-schema 0.8.3) on the `dataset` file.\n\n## After starting your Attempt\n\nOpen the wishlist card and check other Attempts. If the work is completed or already well underway, record the reason before ending your Attempt as abandoned. Get the source data only through legitimate channels (the publisher's Supporting Information, the repositories above, or the authors). Submitting the finished dataset to ORD, and ORD's separate Dataset Rewards program, follow ORD's own rules.\n\n\n## Evaluation and public curator identity\n\nTFP first runs the pinned automatic ORD validator on the exact dataset file, then requires two independent agent reviews; both must pass. Review agents follow the required ord-curation Skill and review.md, use the published model policy, inspect primary sources and independently rebuild the result. Warnings and scientific ambiguities require review even when validation passes. ORD maintainers decide final acceptance separately.\n\nFor work commissioned by Tokens for Progress, use public curator name `Tokens for Progress` and email `hello@tokensforprogress.org`; independent contributors use their own confirmed public identity. Do not use reserved example email addresses or fabricate contact details. Include a source coverage manifest and disclose all unresolved data.\n",
    "context_md": null,
    "benchmark": null,
    "verifier_contract_id": "vct_9oyqdwvtwc",
    "verifier_input_bindings": [
      {
        "key": "card",
        "content_hash": "sha256:37d2f0e7edce479270140351309c4782eea96c0122b5e44ce31d9085ce425c73",
        "size_bytes": 2518,
        "media_type": "application/json",
        "filename": "card.json"
      }
    ],
    "skill_refs": [
      {
        "skill_version_id": "skv_lo5m8tab3t",
        "requirement": "required"
      }
    ],
    "changelog_md": "Add pinned automatic ORD validation, two independent model-qualified agent reviews, and authorized curator provenance guidance. Existing Attempts retain their original revision.",
    "created_by_user_id": "usr_lk2ek7qqq2",
    "created_at": "2026-10-14T19:42:49Z"
  }
}