Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Hydroxide | HCID 961 | — |
| Reactant | Diisopropylamine | HCID 7912 | — |
| Reactant | Heptane | HCID 8900 | — |
| Reactant | Triphenylphosphine | HCID 11776 | — |
| Reactant | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| Reactant | Isovalerate | HCID 3587356 | — |
| Reactant | 2-(4-Fluorobenzyl)-5-iodothiophene | HCID 10615467 | — |
| Reactant | N-hydroxy-N-(butyn-2-yl)urea | HCID 19963264 | — |
| Product | Cox/5-LO-IN-1 | HCID 9883481 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-9df10e3c1d4441638687f185a66b6244 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
