{
  "source": "ORD Dataset Wishlist",
  "snapshot_date": "2026-09-25",
  "ord_wishlist_status_at_snapshot": "Available",
  "ord_wishlist_card": "https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126858044",
  "ord_data_issue": null,
  "title": "A low-volume flow electrochemical microreactor for rapid and automated process optimization",
  "doi": "10.1039/D3RE00586K",
  "journal": "Reaction Chem Eng",
  "publication_date": "2023-11-29",
  "authors": [
    "Eduardo Rial‐Rodríguez",
    "Johannes F. Wagner",
    "Hans‐Michael Eggenweiler",
    "Thomas Fuchß",
    "Alena Sommer",
    "Christian Oliver Kappe",
    "Jason D. Williams",
    "David Cantillo"
  ],
  "article_open_access": {
    "status": "hybrid",
    "license": "cc-by"
  },
  "dataset_size_estimate": 126,
  "experiment_type": "flow automated optimisation",
  "ord_priority": "Medium",
  "ord_difficulty": "Normal",
  "source_data_kind": "si_pdf_tables",
  "smiles_in_source": "no",
  "needs_author_contact": false,
  "data_locations": [
    {
      "url": "https://doi.org/10.1039/D3RE00586K",
      "what": "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)"
    }
  ],
  "notes": "Reaction 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.",
  "verification_caveats": "Continuous-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."
}