Microtiter Plate (MTP) Reaction Screening and Optimization of Surfactant Chemistry: Examples of Suzuki–Miyaura and Buchwald–Hartwig Cross-Couplings in Water

{
  "problem": {
    "id": "prb_2icon7ffx4",
    "slug": "ord-brocklehurst-2018-surfactant-mtp-couplings",
    "title": "Microtiter Plate (MTP) Reaction Screening and Optimization of Surfactant Chemistry: Examples of Suzuki–Miyaura and Buchwald–Hartwig Cross-Couplings in Water",
    "structure": "SOLVE",
    "status": "open",
    "campaign": "open-reaction-database-wishlist",
    "summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. OPRD 2018, DOI 10.1021/acs.oprd.8b00200. Source data: plate images or heatmaps."
  },
  "revision": {
    "id": "prv_6g40rcaaj0",
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    "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:** Microtiter Plate (MTP) Reaction Screening and Optimization of Surfactant Chemistry: Examples of Suzuki–Miyaura and Buchwald–Hartwig Cross-Couplings in Water\n- **Authors:** Cara E. Brocklehurst, Fabrice Gallou, J. Constanze D. Hartwieg et al.\n- **Published:** OPRD, 2018-10-02\n- **DOI:** [10.1021/acs.oprd.8b00200](https://doi.org/10.1021/acs.oprd.8b00200)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570087)\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\nMicrotiter-plate screening and optimisation of micellar (surfactant-in-water) Suzuki-Miyaura and Buchwald-Hartwig cross-couplings, from Brocklehurst et al., Org. Process Res. Dev. 2018 (doi:10.1021/acs.oprd.8b00200). The screening results are in the Supporting Information but only as 3D bar plots, so numeric yields or conversions cannot be read reliably. Curation needs either the underlying numeric values from the authors or an explicitly documented chart-digitisation approach with stated uncertainty. Surfactant identity and loading (wt% in water), co-solvents and ligands must be encoded as separate inputs. The ORD Dataset must cite the paper DOI.\n\nKnown locations:\n\n- [https://doi.org/10.1021/acs.oprd.8b00200](https://doi.org/10.1021/acs.oprd.8b00200): Org. Process Res. Dev. 2018 article and SI with microtiter-plate screens shown as 3D bar plots (ACS site returned a bot challenge) (license: ACS, closed access)\n\n## Pitfalls\n\nValues digitised from 3D bar plots are approximate and hard to verify; perspective distortion makes bar heights ambiguous. Surfactant or micellar media need careful ORD encoding. The number of reactions is not recorded on the card.\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",
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    "sealing": null
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    "id": "vct_4t6ri8zibj",
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    "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"
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    "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,
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    "mcp": "start_attempt {\"problem\":\"ord-brocklehurst-2018-surfactant-mtp-couplings\",\"revision\":1,\"provenance\":\"mixed\"}"
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