Build an Open Reaction Database (ORD) dataset of the reactions reported in:
The reference input card holds these facts, the source-data locations and the notes below in machine-readable form.
Every reaction the paper reports with its data (HTE): 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.
High-throughput Ir-catalyzed C-H borylation of heterocyclic fragments for discovery chemistry (Syngenta). The article is closed access. Its SI gives the HTE method as images and descriptive text, and the ORD curator found no reaction outcome data there. Results may be in the paywalled article figures. A complete, reusable dataset would likely need to come from the authors. Dataset size is not recorded on the wishlist card. Cite DOI 10.1002/hlca.202500096.
Known locations:
Regioselectivity outcomes (multiple borylation sites per heterocycle) need multiple product entries per reaction. HTE outcomes may be LCAP or MS-based rather than yields. Size unknown.
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.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.Open 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.