{
"problem": {
"id": "prb_8g33c006jb",
"slug": "ord-edelstein-2020-rh-proline-analogues",
"title": "Synthesis of Proline Analogues via Rh-Catalyzed Asymmetric Conjugate Addition",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. ACS Catalysis 2020, DOI 10.1021/acscatal.0c04648. Source data: tables in the Supporting Information PDF."
},
"revision": {
"id": "prv_l885tl14s8",
"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:** Synthesis of Proline Analogues via Rh-Catalyzed Asymmetric Conjugate Addition\n- **Authors:** Emma K. Edelstein, Danica A. Rankic, Caroline C. Dudley et al.\n- **Published:** ACS Catalysis, 2020-12-31\n- **DOI:** [10.1021/acscatal.0c04648](https://doi.org/10.1021/acscatal.0c04648)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570072)\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: 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\nACS Catal. 2021 (issued online 2020-12-31), doi 10.1021/acscatal.0c04648. Enantio- and diastereoselective Rh-catalysed conjugate addition of aryl/vinyl boronic acids to dehydroproline electrophiles, giving 3-substituted proline analogues. An HTE campaign identified the chiral catalyst, followed by a substrate scope. Crossref lists one SI file; its format was not checked because ACS pages block automated access. Expect HTE screening results (ligand/metal/conditions vs. yield, dr and ee) as tables or heatmaps, plus scope entries with isolated yields and selectivities. SMILES must be drawn from structures or names. The closed-access SI cannot be re-hosted; cite and reference it only.\n\nKnown locations:\n\n- [https://doi.org/10.1021/acscatal.0c04648](https://doi.org/10.1021/acscatal.0c04648): Article plus one SI file (Crossref component 10.1021/acscatal.0c04648.s001; format and contents not inspected, pubs.acs.org returns 403) (license: ACS standard (closed article; Crossref TDM policy only))\n\n## Pitfalls\n\nOutcomes include diastereo- and enantioselectivity (dr, ee) alongside yield. HTE screen outcomes may be assay yields (HPLC/UPLC with internal standard) rather than isolated yields. Chiral ligands need correct stereo SMILES. Screen and scope may use different conditions.\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": "sha256:6a697001843b69b035b360e158410000853e4bccf1b394807ff1994e3f7cad22",
"size_bytes": 2216,
"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_8g33c006jb",
"revision": "/api/problems/prb_8g33c006jb/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-edelstein-2020-rh-proline-analogues\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}