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 (the wishlist estimates about 21 reactions; DOE): 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.
Source: Saglam et al., Org. Lett. 2025, doi:10.1021/acs.orglett.5c00148. Acid-mediated intramolecular cyclisation to 2-heteroaryl-indolin-3-ones in batch and flow. The main target is a 21-run DOE campaign tabulated in the Supporting Information. The base, acid and solvent screens use a general method and can form a second dataset. The source has no SMILES, but few distinct species are involved, so assignment is quick. Record the DOE factor levels (e.g., temperature, equivalents, time, concentration) per run, and state which runs were batch and which were flow. The SI is ACS-hosted and not openly licensed. Cite it, but do not redistribute it.
Known locations:
Any flow runs need flow-reactor representation (residence time, flow rates) in ORD, unlike the batch runs. The DOE response may be an assay yield or conversion by HPLC, whose method must be recorded. The screens and the DOE may be better split into two datasets.
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.