Excel, ORD, and NMR spectroscopy files for: Total synthesis of Honokiol via oxidative phenol coupling

# Excel, ORD, and NMR spectroscopy files for: Total synthesis of Honokiol
via oxidative phenol coupling [Access this dataset on
ORD](https://open-reaction-database.org/editor/datasets) The
"Supporting_Information_(ORD).zip" files (.pb and .pbtxt) can be
uploaded directly to the ORD platform for visual analysis of reaction
schemes. Alternatively, these files can be opened in a text editor like
Notepad, which will display only the underlying code generated by ORD. The
"Supporting_Information_(Excel).zip" file includes an Excel
spreadsheet modeled after the ORD platform, using similar methods for data
entry. Each experiment from the Excel file has also been exported as an
individual CSV file. See more details below. The
"FID_For_Publication.zip" file contains the raw spectroscopic
data. ## Description of the data and file structure **Excel Template** The
Excel file is organized by individual reaction steps. “G1” and “G2”
indicate the synthesis generation. The third digit represents the reaction
step within the sequence, while the accompanying letter (A–C) specifies
the protocol variant for that step. For example, the sheet labeled G2-2B
corresponds to the second-generation synthesis, step two, using the second
variant of the protocol. To improve machine readability, dropdown menus
were implemented to restrict inputs to fixed units. * Dropdown menus are
highlighted in red cells. * The "**Menu Options**" sheet
contains all the source data for the dropdown menus. * When copying a cell
with a dropdown menu, both the formatting and the dropdown functionality
will be copied, not just the displayed value. **Color Coding**: Aside from
the red cells, the varying colors within a template are meant only to
guide the user across different sections of the template. Cells with no
color should be left blank. The "**README**" sheet provides
step-by-step instructions for adding options to a dropdown menu. A copy of
the instructions from this README file is also included. The
"**Analysis Table**" sheet contains blank analysis templates.
These can be copied and pasted into a new template depending on the type
of analysis required for a given experiment. **Excel Template Sections**
**Chemicals**: Only enough information to accurately identify each
compound and the amount used is required. When non-common reagents are
used, a SMILES string and/or CAS# should also be included. Rows may be
added or removed as needed. **Conditions**: Try to input as much
information as possible. Do not delete unused rows. Instead, leave them
blank. **Set up**: Report procedures based on individual steps and assign
each step accordingly. Rows may be added or removed as needed.
**Isolation**: When reporting flash chromatography conditions, include as
much detail as possible. For isolations performed using other methods,
describe each step of the procedure. **Analysis**: Enter data as
instructed. Do not delete input labels under "Spectroscopy" (1H
NMR or 13 NMR). If using a **General NMR** template, complete the required
fields and provide the NMR data as a single text string in the "NMR
Data" field. For **General Analysis**, provide the data as a single
text string in the "Data" field. Leave unused cells blank; this
helps keep the template organized and easy to navigate. Once completed,
export the template as a CSV file. A **CSV** file corresponding to each
sheet in the Excel template has been provided. For users without access to
Excel, a blank CSV template is included along with the necessary
supporting files (menu options, analysis table, and a copy of this README
file). Please note that in the CSV format, dropdown menu functionality and
color coding are not retained; however, the overall structure and
reporting remain the same. **Our Goal** Our overarching aim is not to
debate formatting preferences, but to contribute to the broader discussion
on improving data reproducibility. This submission is intended to
illustrate potential approaches for achieving that goal. The data
presented in these files are not meant to represent a flawless report, but
rather to highlight how much information is typically omitted when
protocols are submitted in a traditional paragraph-based format.