The Class column categorizes the ethenolysis reactions based on the equations used to calculate reaction outcomes.
In this context, unless otherwise specified, the equations for substrate conversion and turnover number remain consistent:
Here, MO refers to methyl oleate. Some authors used ethyl oleate instead of MO, but the same equations, [eq.1] and [eq.3], were applied. Additionally, in several cases, %Yield is calculated using [eq.2], though variations exist across references, as well as differences in the equations used to determine selectivity. Consequently, we introduce the following criteria to classify reaction outcomes based on the methodology specified in each reference:
Class S – Data categorized by the method used to calculate selectivity.
Class P1 – Data pertaining to reaction outcomes for product P1, methyl 9-decenoate.
Class U – Data with unspecified equations for calculating reaction outcomes.
Class O – Data derived from complex oil substrates.
A comprehensive list of references corresponding to each classification is provided in the Supporting Information of the publication associated with this database, which also includes additional detailed data curation.
Class S – Most entries in the database adhere to this classification. However, different equations for calculating selectivity were encountered across the references. As a result, the data were categorized as Class Sn, where n ranges from 1 to 3.
Class S1 – In addition to [eq.1] – [eq.3], data were obtained using the following equation:
P1 = Product 1, methyl 9-decenoate
P2 = Product 2, 1-decene
P1′ = Self-metathesis of P1, dimethyl 9-octadecene-1,18-dioate
P2′ = Self-metathesis of P2, 9-octadecene
The factor of 2 in the denominator arises from the requirement that 2 moles of substrate are needed to produce 1 mole of each homodimer.
Class S2 – In this case, selectivity was calculated as follows:
That is, the moles of self-metathesis products are not multiplied by a factor of 2, thus differing from [eq.4].
Class S3 – This category comprises entries that use alternative definitions of selectivity not covered by eq. [eq.4] or [eq.5].
Class P1 – In this case, selectivity, yield and TON values are reported for productive metathesis P1, methyl 9-decenoate.
Description of the other Class U and Class O is diverse, so that each reference following this classification is detailed in the Supporting Information associated with this publication.