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Retrosynthetic analysis and computational reaction prediction
Passed 24 of 24 test cases with the skill, and 20 of 24 without it.
and 3 more in the full report
4 fixed20 passed either way0 still failing0 broke
Tokens, turns and time describe resource use, not a dollar price.
One of 4 test cases the skill fixed. Same model, same prompt, with and without the skill.
A chemist wants to perform a C-C bond disconnection on a secondary alcohol R-CH(OH)-R' to build the carbon framework. Specify the organometallic reagent and carbonyl precursor pair used in a Grignard retro transform.
| Checked | Without skill | With skill |
|---|---|---|
| Specify an aldehyde precursor R-CHO | Passed | Passed |
| Specify an alkylmagnesium halide reagent R'-MgBr | Missed | Passed |
The instructions your model reads when the skill loads.
Plan synthetic routes for target molecules using retrosynthetic analysis principles and computational tools, from Corey's logic to modern AI-driven approaches.
Retrosynthesis works backward from a target molecule to identify simpler, commercially available precursors:
Target Molecule (TM)
|
[Disconnection 1] ← Apply transform (reverse of a known reaction)
|
Synthon A + Synthon B
| |
[Available] [Disconnection 2]
|
Synthon C + Synthon D
| |
[Available] [Available]
Key terminology:
| Strategy | Description | When to Use |
|---|---|---|
| FGI | Convert functional groups to enable disconnections | When direct disconnection is not possible |
| C-C Bond disconnection | Break carbon-carbon bonds | Building the carbon skeleton |
| C-X Bond disconnection | Break carbon-heteroatom bonds | Functional group installation |
| Ring disconnection | Open rings to identify acyclic precursors | Cyclic target molecules |
| Symmetry exploitation | Use molecular symmetry to simplify analysis | Symmetric molecules |
test cases passed, vs 20 / 24 without
More skills from the same source and nearby in the registry, with their headline benchmark lift.