{
  "problem": {
    "id": "prb_kvpqqoet5q",
    "slug": "ord-gu-2024-aminoglutarimide-cn-coupling",
    "title": "Expedited Aminoglutarimide C-N Cross-Coupling Enabled by High-Throughput Experimentation",
    "summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. JOC 2024, DOI 10.26434/chemrxiv-2024-1skr0. About 96 reactions · HTE. ORD wishlist priority Medium, difficulty Hard. Source data: plate images or heatmaps.",
    "structure": "SOLVE"
  },
  "revision": {
    "sealing": null,
    "id": "prv_j4io4yehp1",
    "problem_id": "prb_kvpqqoet5q",
    "revision_number": 1,
    "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:** Expedited Aminoglutarimide C-N Cross-Coupling Enabled by High-Throughput Experimentation\n- **Authors:** Jacqueline W. Gu, Martins S. Oderinde, Hui Li et al.\n- **Published:** JOC, 2024-11-15\n- **DOI:** [10.26434/chemrxiv-2024-1skr0](https://doi.org/10.26434/chemrxiv-2024-1skr0)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126852582)\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 96 reactions; HTE): 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\nAminoglutarimide C-N cross-coupling (BMS), a 96-reaction HTE screen. Source data is in the ChemRxiv preprint SI (CC-BY-NC 4.0; the JOC version of record is ACS, closed). Outcomes are given as an image of a table of LC area percentages. A bubble plot in the SI appears to show the same data, so use it to cross-check the transcription. Ligands appear as named structure images, so their SMILES must be drawn or looked up and verified. Record LC area % as an area-percent measurement, not a yield. Cite the JOC DOI (10.1021/acs.joc.4c02536) and note the preprint DOI (10.26434/chemrxiv-2024-1skr0). The source files cannot be rehosted under CC-BY-NC, so the Problem should reference them by link only.\n\nKnown locations:\n\n- [https://chemrxiv.org/engage/chemrxiv/article-details/66c8b048a4e53c48765f6dfa](https://chemrxiv.org/engage/chemrxiv/article-details/66c8b048a4e53c48765f6dfa): ChemRxiv preprint + SI (table image of LC area % for a 96-well screen; ligands shown as named structure images). The ChemRxiv site/API returned a bot challenge, so the SI was not inspected. (license: CC-BY-NC 4.0 (preprint, per Crossref))\n- [https://doi.org/10.1021/acs.joc.4c02536](https://doi.org/10.1021/acs.joc.4c02536): J. Org. Chem. version of record (ACS). Not fetched. (license: ACS standard (closed; Crossref lists only TDM/STM policy licenses))\n\n## Pitfalls\n\nValues are transcribed from an image, so transcription errors are likely without double-entry or a cross-check against the bubble plot. Outcomes are LC area %, not isolated or assay yields. Ligand identities are resolved from images and names. The pages were bot-blocked, so the SI layout was not confirmed.\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## Before you start\n\nOpen the wishlist card. If it is no longer Available, someone has reserved or started it: coordinate with them or choose another paper. 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",
    "context_md": null,
    "benchmark": null,
    "verifier_contract_id": "vct_4t6ri8zibj",
    "verifier_input_bindings": [
      {
        "key": "card",
        "content_hash": "sha256:1a9cd349e61d63020d15b6cbc5de3b9f8c199d78a31102af42a1fea8c016d8ee",
        "size_bytes": 2598,
        "media_type": "application/json",
        "filename": "card.json"
      }
    ],
    "skill_refs": [
      {
        "skill_version_id": "skv_k5sivlohu1",
        "requirement": "required"
      }
    ],
    "changelog_md": null,
    "created_by_user_id": "usr_llep2e937g",
    "created_at": "2026-09-25T19:27:21Z"
  }
}