{"revision":{"id":"prv_mgy2ny78na","problem_id":"prb_it761u7192","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:** Kinetic and Data-Driven Reaction Analysis for Pharmaceutical Process Development\n- **Authors:** Ke Wang, Lu Han, Jason G. Mustakis et al.\n- **Published:** I&EC, 2019-09-19\n- **DOI:** [10.1021/acs.iecr.9b03578](https://doi.org/10.1021/acs.iecr.9b03578)\n- **ORD wishlist card:** [open on GitHub](https://github.com/orgs/open-reaction-database/projects/11?pane=issue&itemId=126570097)\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: Wang et al., Ind. Eng. Chem. Res. 2019 (doi:10.1021/acs.iecr.9b03578). Methods paper comparing kinetic and data-driven (semiparametric) modeling of dynamic reaction profiles. The single industrial case study is a chemoselective methyl ester hydrolysis studied over a designed set of conditions with time-course sampling. The article is closed-access. The SI is one PDF (~1 MB) with no machine-readable data file. Reaction profiles are expected to be available mainly as figures, and substrate structure disclosure has not been verified.\n\nKnown locations:\n\n- [https://api.figshare.com/v2/articles/9941501](https://api.figshare.com/v2/articles/9941501): ACS SI PDF ie9b03578_si_001.pdf (1.06 MB); contents not inspected (license: Labeled CC BY-NC 4.0 on figshare (ACS SI mirror); not verified against ACS terms)\n- [https://doi.org/10.1021/acs.iecr.9b03578](https://doi.org/10.1021/acs.iecr.9b03578): Ind. Eng. Chem. Res. 2019 article (closed access); kinetic and semiparametric modeling of reaction profiles (license: ACS standard (closed))\n\n## Pitfalls\n\nTime-course (kinetic) outcomes: each DoE run has multiple timepoints that need ORD ProductMeasurement/time handling. Values digitized from plots are approximate. The substrate may be a proprietary pharmaceutical intermediate with an undisclosed structure. Only one reaction type is involved, and conditions vary by DoE factors.\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":"sha256:208d648d180990a335830c1c0fc719daa416ec432f9d3f560f506742b8400225","size_bytes":2395,"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}}