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* Added catechol dataset pbtxt * fixed yields * changes from review * actual review changes, removal of template
Added enhanced name and description to the dataset, and corrected the 'reactino' typo using search/replace.
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@jpfolch your ORD dataset ID has now been created. It is ord_dataset-1ec2807f02fa4beda27d2a81b86eb843 and your dataset will be found here in the ord-data repo: I need to give the automated checks a kick to get the count to finish properly, but it should flow through to the public database from here. |
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Thanks @bdeadman, all ready and looking good from my end. |
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dataset name:
Transient flow exploration of the effect of temperature, residence time and binary solvent ratios on a uni-molecular allyl substituted catechol reaction.
dataset description:
1,227 datapoints were collected in a series of transient flow ramps involving temperature [175 - 225 C], residence time [2 - 15 minutes] and binary solvent ratios of 24 solvents. HPLC yields reported for starting material and 2 products of the uni-molecular rearrangement of o-Bis(allyloxy)benzene. Reactions performed by SOLVE Chemistry in London (solvechemistry.com) and published in https://doi.org/10.48550/arXiv.2506.07619.
Dataset reviewed by me in #233 and authors made the required corrections already. I corrected a typo, and enhanced the dataset name and description in the latest commit on this branch.