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Official data repository for the Open Reaction Database
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Expt2 10.1021/acs.accounts.0c00760 #100

Closed mwleklin closed 3 years ago

mwleklin commented 3 years ago

1728 Reactions (all of them) from Figure 6 of 10.1021/acs.accounts.0c00760 This was generated using the interactive web tool and associated enumerator. Type of chemistry is C-N photoredox. 18 Aryl Halides 12 Catalysts 2 Monomer Loading 4 Catalysts Loading 18x12x2x4 = 1728

Submission.zip

connorcoley commented 3 years ago

Sorry for the delay @mwleklin -- is the experimental procedure for this dataset published? The SI for the Accounts paper looks different in terms of scope.

Otherwise, the template looks appropriately detailed and seems to match up logically with the spreadsheet. It matches the paragraph on S-9 but with a different number of aryl halides (16, compared to the 18 you quote).

Can you be sure to give the dataset a name and description (post-enumeration)?

mwleklin commented 3 years ago

Sorry for my delay @connorcoley . This replicate the image from S12, which has the 4 Ni:Ir loadings and two amine loadings.

In terms of the number of informers, the paper appears to be wrong in the supporting information wording. Figure 6 in the main text and figure S12 both show 18 informers. Additionally, Spencer and I built these together so the number should be correct.

Apologies for not being more descriptive early on with the data source, will include in the future.

connorcoley commented 3 years ago

Got it, thanks! Before I approve, do you mind addressing the one quick dataset-level comment? It's helpful to note what figure/subset of the paper the data should correspond to

Can you be sure to give the dataset a name and description (post-enumeration)?

mwleklin commented 3 years ago

Done, Let me know if the name and description should be formatted differently.

-Mike