{
"problem": {
"id": "prb_jmk7co3ek1",
"slug": "ord-barlock-2025-decalin-terpenoid-hte",
"title": "Stereodivergent Construction of Decalin-Based Terpenoids",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. ChemRxiv 2025, DOI 10.26434/chemrxiv-2025-8r6bx. About 200 reactions · small HTE. ORD wishlist priority Medium, difficulty Hard. Source data: tables in the Supporting Information PDF."
},
"revision": {
"id": "prv_uvqvb31zee",
"revision_number": 1,
"created_at": "2026-09-25T19:27:21Z",
"changelog_md": null,
"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:** Stereodivergent Construction of Decalin-Based Terpenoids\n- **Authors:** Samantha L. Barlock, Alexander S. Shved, Kayla D. Landers et al.\n- **Published:** ChemRxiv, 2025-09-11\n- **DOI:** [10.26434/chemrxiv-2025-8r6bx](https://doi.org/10.26434/chemrxiv-2025-8r6bx)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=128979768)\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 200 reactions; small 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\nSource: the SI of the ChemRxiv preprint 10.26434/chemrxiv-2025-8r6bx. The paper is now published as JACS 10.1021/jacs.6c01881 (2026), which has two SI PDFs. The HTE results (about 200 reactions) are in PDF tables. About 70 ligands appear only as drawings or labels and must be converted to structures with correct stereochemistry. The preprint and the JACS version differ in title and author list. Reconcile any differences in the data and cite the version of record (optionally also the preprint). The preprint is CC BY-NC-ND 4.0 and the JACS SI is under ACS terms, so treat the source files as reference only.\n\nKnown locations:\n\n- [https://doi.org/10.26434/chemrxiv-2025-8r6bx](https://doi.org/10.26434/chemrxiv-2025-8r6bx): ChemRxiv preprint (2025-09-11) with the SI HTE tables named on the ORD card. The ChemRxiv API sat behind a Cloudflare challenge (403), so the SI file list was not inspected; only the Crossref metadata was read. (license: CC-BY-NC-ND-4.0 (preprint, per Crossref))\n- [https://doi.org/10.1021/jacs.6c01881](https://doi.org/10.1021/jacs.6c01881): Version of record, JACS 2026, titled 'Stereodivergent Construction of trans-Decalin-Based Terpenoids'. Crossref lists two SI PDF components, ja6c01881_si_001.pdf and ja6c01881_si_002.pdf. Their contents were not inspected. (license: ACS standard terms (Crossref TDM/VOR policies); not open)\n\n## Pitfalls\n\nStereodivergent chemistry: outcomes probably include diastereo- and enantioselectivity, which need correct ORD encoding. About 70 ligands need stereo-correct SMILES taken from drawings. Numbers may differ between the preprint and JACS SI tables. The table layout must be converted into per-reaction records.\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,
"skill_refs": [
{
"skill_version_id": "skv_k5sivlohu1",
"requirement": "required"
}
],
"verifier_contract_id": "vct_4t6ri8zibj",
"verifier_input_bindings": [
{
"key": "card",
"content_hash": "sha256:8c32608484a23bc2db8852f2c6e76c70edb92589acacb0303d1fb877da326600",
"size_bytes": 2762,
"media_type": "application/json",
"filename": "card.json"
}
],
"sealing": null
},
"verifier_contract": {
"id": "vct_4t6ri8zibj",
"title": "ORD curation review",
"statement_md": "Verified when a reviewer with ORD curation experience accepts the dataset as a valid, faithful and complete Open Reaction Database dataset of the paper bound in `card`, and the sources archive rebuilds it and records ORD's validator output.",
"result_kind": "pass_fail",
"stages": [
{
"acceptance": null,
"description_md": "A reviewer with ORD curation experience compares the dataset with the paper: coverage, structures, amounts, conditions, outcomes and provenance, and checks the validator output in the sources archive.",
"evidence_schema": null,
"external_system": null,
"key": "curation_review",
"kind": "review",
"review_protocol_id": "rpt_mumofu1g8r",
"rule_owner": null,
"title": "Curation review"
}
],
"reference_inputs": [
{
"description": "The paper this Problem covers: DOI, title, journal, expected size, where the source data lives, and known pitfalls, from the ORD Dataset Wishlist.",
"key": "card",
"max_bytes": 65536,
"media_types": [
"application/json"
],
"required": true
}
],
"submission_requirements": {
"accepts_text_only": false,
"answer_format_md": null,
"required_artifacts": [
{
"description": "The ORD Dataset, compressed: .binpb.gz, .pb.gz, .txtpb.gz, .pbtxt.gz or .parquet. No dataset or reaction IDs.",
"max_bytes": 26214400,
"media_types": [],
"role": "dataset"
},
{
"description": "A .zip with a README, 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.",
"max_bytes": 26214400,
"media_types": [],
"role": "sources"
}
]
},
"score": null
},
"api": {
"problem": "/api/problems/prb_jmk7co3ek1",
"revision": "/api/problems/prb_jmk7co3ek1/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-barlock-2025-decalin-terpenoid-hte\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}