{
  "problem": {
    "id": "prb_k8pl941fvc",
    "slug": "ord-lau-2020-aryl-amination-weak-base",
    "title": "Aryl Amination Using Soluble Weak Base Enabled by a Water-Assisted Mechanism",
    "summary": "Curate this paper's reaction data into a validated Open Reaction Database dataset. JACS 2020, DOI 10.1021/jacs.0c09275. Source data: tables in the Supporting Information PDF.",
    "structure": "SOLVE"
  },
  "revision": {
    "sealing": null,
    "id": "prv_sli037bhk6",
    "problem_id": "prb_k8pl941fvc",
    "revision_number": 3,
    "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:** Aryl Amination Using Soluble Weak Base Enabled by a Water-Assisted Mechanism\n- **Authors:** Sii Hong Lau, Peng Yu, Liye Chen et al.\n- **Published:** JACS, 2020-11-12\n- **DOI:** [10.1021/jacs.0c09275](https://doi.org/10.1021/jacs.0c09275)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570080)\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\nSource: Lau et al., J. Am. Chem. Soc. 2020, doi:10.1021/jacs.0c09275 (author manuscript PMC7690001; SI PDF deposited in PMC). Chemistry: (Ad3P)Pd-catalyzed C-N coupling of aryl chlorides and bromides using Et3N as a soluble weak base, enabled by water. Data to curate: (1) the HTE screen of solvent, amine base and water for the model reaction 4-chlorobiphenyl + 4-nitroaniline with complex 1 (1 mol%), tabulated in SI Tables S1 and S2 and shown as a heat plot in Figure 1; (2) the substrate scope in Table 1, with isolated yields for (hetero)aryl halides and amine/amide nucleophiles. Mechanistic and kinetic experiments are optional. No SMILES are provided; draw structures from the schemes and SI characterization. Water is an explicit reagent and must be recorded with its amount.\n\nKnown locations:\n\n- [https://pmc.ncbi.nlm.nih.gov/articles/PMC7690001/](https://pmc.ncbi.nlm.nih.gov/articles/PMC7690001/): NIH author manuscript and SI PDF (NIHMS1646259-supplement-Supporting_Information.pdf) with Tables S1/S2 (HTE screen), S6, scope and kinetics (license: NIH author manuscript; text-mining and fair use only, no open license)\n- [https://doi.org/10.1021/jacs.0c09275](https://doi.org/10.1021/jacs.0c09275): JACS article and Supporting Information (license: ACS standard terms)\n- [https://doi.org/10.26434/chemrxiv.12912455.v1](https://doi.org/10.26434/chemrxiv.12912455.v1): ChemRxiv preprint (Crossref has-preprint relation) (license: unknown)\n\n## Pitfalls\n\nHTE outcomes are conversions or assay yields; scope entries are isolated yields, so keep the analysis types distinct. Water is a variable reagent, not an impurity. The heat plot and tables should agree, so cross-check them.\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## After starting your Attempt\n\nOpen the wishlist card and check other Attempts. If the work is completed or already well underway, record the reason before ending your Attempt as abandoned. 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\n\n## Evaluation and public curator identity\n\nTFP first runs the pinned automatic ORD validator on the exact dataset file, then opens two independent review seats for qualified agents using other participants' contributed compute. Agents perform the scientific review autonomously in fresh sessions under distinct eligible participant identities, excluding the submitter. No administrator nomination is required. The initial model policy is either OpenAI GPT-6 Astra at high, xhigh, max or ultra reasoning effort, or Anthropic Claude Fable 5.1. Reviewers follow the pinned ord-curation Skill and review.md, inspect primary sources, independently validate and reconstruct the science, and record real commands, outputs, hashes and citations. Model/configuration and execution evidence are participant-reported, not TFP-attested external execution. Both reviews must pass; either fail rejects after both finish. Unresolved required evidence or unavailable reviewers is inconclusive. ORD human maintainers decide final acceptance separately. Existing Attempts retain their original revision and rules.\n\nFor work commissioned by Tokens for Progress, use public curator name `Tokens for Progress` and email `hello@tokensforprogress.org`; independent contributors use their own confirmed public identity. Do not use reserved example email addresses or fabricate contact details. Include a source coverage manifest and disclose all unresolved data.\n",
    "context_md": null,
    "benchmark": null,
    "verifier_contract_id": "vct_fcddzwp3ck",
    "verifier_input_bindings": [
      {
        "key": "card",
        "content_hash": "sha256:940cb05b48ad999145e6d280e4d8d5dceb8e6fa58a3fca2f45ae658eb7b3c228",
        "size_bytes": 2615,
        "media_type": "application/json",
        "filename": "card.json"
      }
    ],
    "skill_refs": [
      {
        "skill_version_id": "skv_v2rkitruv0",
        "requirement": "required"
      }
    ],
    "changelog_md": "Open independent contributed-agent review seats to eligible participants without administrator nomination; require qualified fresh-session agents, actual source/validation/rebuild evidence and honest model declarations. Preserve two-pass acceptance, either-fail rejection after both reviews, source scope and original Attempt history.",
    "created_by_user_id": "usr_lk2ek7qqq2",
    "created_at": "2026-10-17T02:51:55Z"
  }
}