{
"problem": {
"id": "prb_vg8a4qunxc",
"slug": "ord-rial-rodriguez-2023-flow-electrochem-optimisation",
"title": "A low-volume flow electrochemical microreactor for rapid and automated process optimization",
"structure": "SOLVE",
"status": "open",
"campaign": "open-reaction-database-wishlist",
"summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. Reaction Chem Eng 2023, DOI 10.1039/D3RE00586K. About 126 reactions · flow automated optimisation. ORD wishlist priority Medium, difficulty Normal. Source data: tables in the Supporting Information PDF."
},
"revision": {
"id": "prv_l5su73ub8q",
"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:** A low-volume flow electrochemical microreactor for rapid and automated process optimization\n- **Authors:** Eduardo Rial‐Rodríguez, Johannes F. Wagner, Hans‐Michael Eggenweiler et al.\n- **Published:** Reaction Chem Eng, 2023-11-29\n- **DOI:** [10.1039/D3RE00586K](https://doi.org/10.1039/D3RE00586K)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126858044)\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 126 reactions; flow automated optimisation): 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\nReaction Chemistry & Engineering 2024 (online Nov 2023), DOI 10.1039/D3RE00586K. The article is CC BY 3.0 per Crossref, which covers the article only; the SI license is not stated separately. About 126 experiments from automated process optimisation in a low-volume flow electrochemical microreactor are reported in tables in the SI PDF. Only a few distinct chemicals are involved, so few SMILES need to be written. The hard part is modelling the flow electrochemistry in ORD: cell and electrode materials, current or charge, flow rate or residence time, and how steady state is sampled. No data repository deposit was found. The publisher site blocks automated access, so SI file names and formats were not verified.\n\nKnown locations:\n\n- [https://doi.org/10.1039/D3RE00586K](https://doi.org/10.1039/D3RE00586K): Article and SI (per the board notes, ~126 experiments in SI tables). The publisher page blocks automated access, so the SI files were not listed. The paper is not in Europe PMC and no DataCite deposit was found. (license: CC BY 3.0 (article, per Crossref; SI license not stated separately))\n\n## Pitfalls\n\nContinuous-flow electrochemical optimisation. Each run's conditions (current, charge, flow rate, residence time, concentration) have to go into ORD flow and electrochemistry condition fields, which is judgement-heavy. Outcomes are probably HPLC yield or conversion from steady-state samples and must be confirmed from the SI. The optimisation campaign has many near-duplicate reactions that differ only in 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": "sha256:3d150a6da5f5bed28f1615ae5e5448751fded01f0ff33538a1a8d3ce54310c11",
"size_bytes": 2603,
"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_vg8a4qunxc",
"revision": "/api/problems/prb_vg8a4qunxc/revisions/1",
"mcp": "start_attempt {\"problem\":\"ord-rial-rodriguez-2023-flow-electrochem-optimisation\",\"revision\":1,\"provenance\":\"mixed\"}"
}
}