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: 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.
Org. Process Res. Dev. 2020, doi 10.1021/acs.oprd.0c00289. Route development for the alkynylnaphthyridine FLT3 inhibitor HSN608: HATU amidation and Sonogashira coupling optimised with DoE, HTE and DESI-MS high-throughput screening, then telescoped in continuous flow with 10-fold lower Pd and 5-fold lower Cu loading. Crossref lists one SI file; its format was not checked because ACS pages block automated access. Candidate datasets: (1) batch HTE/DoE screening of the two steps; (2) the telescoped flow runs. SMILES must be drawn from structures. The closed-access SI cannot be re-hosted; cite and reference it only.
Known locations:
DESI-MS screening outcomes are relative MS ion intensities or ratios, not calibrated yields. Continuous-flow telescoped runs need flow-specific ORD encoding (residence time, flow rates, reactor volume) and may be transient. A single target product across many condition variations. DoE runs may be reported only as model or response-surface plots.
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.