{"revision":{"id":"prv_0k4esbpqto","problem_id":"prb_ulw2rq5aem","revision_number":1,"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:** Van Leusen Imidazole Synthesis for One-Bead-One-Compound DNA-Encoded Libraries\n- **Authors:** Yihui Xie, Min-Chi Huang, Yanfen Jiang et al.\n- **Published:** Bioconjugate Chemistry, 2025-08-23\n- **DOI:** [10.1021/acs.bioconjchem.5c00317](https://doi.org/10.1021/acs.bioconjchem.5c00317)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126616690)\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 300 reactions; DNA encoded library): 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\nVan Leusen imidazole synthesis (TosMIC chemistry) adapted to one-bead-one-compound DNA-encoded libraries (WuXi AppTec). About 300 reactions are reported in SI tables. Building blocks are drawn as structure images, not given as names or SMILES, so an agent needs optical structure recognition or manual transcription. The article is closed access; the SI is typically downloadable from the publisher page (verify). If the authors can provide the table data in a structured format, extraction effort drops sharply. Cite DOI 10.1021/acs.bioconjchem.5c00317.\n\nKnown locations:\n\n- [https://doi.org/10.1021/acs.bioconjchem.5c00317](https://doi.org/10.1021/acs.bioconjchem.5c00317): ACS Bioconjugate Chemistry article (closed access) plus SI tables. Not fetched because ACS blocks automated access. Europe PMC indexes it with no OA copy or supplement (license: ACS standard (Crossref TDM policy links only))\n\n## Pitfalls\n\nSubstrates are DNA- and bead-conjugated, so the full conjugate cannot be expressed as a simple SMILES. The dataset needs a convention: the small-molecule portion with a documented attachment/linker placeholder, or ORD identifiers of type NAME/CUSTOM. Outcomes are likely LC-MS conversion percentages on DNA, not isolated yields. There may be multiple building-block classes (aldehydes, amines, TosMIC reagents) within one template.\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,"verifier_contract_id":"vct_4t6ri8zibj","verifier_input_bindings":[{"key":"card","content_hash":"sha256:13ff37ecfae79403325f691e512b032d507f299d404aa0ddb4dd895643855a9e","size_bytes":2416,"media_type":"application/json","filename":"card.json"}],"skill_refs":[{"skill_version_id":"skv_k5sivlohu1","requirement":"required"}],"changelog_md":null,"created_by_user_id":"usr_llep2e937g","created_at":"2026-09-25T19:27:21Z","sealing":null}}