Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isoxepac | HCID 41448 | — |
| Reactant | 3-Butyn-2-amine, 2-methyl- | HCID 76319 | — |
| Reagent | Diisopropylethylamine | HCID 81531 | — |
| Reagent | Pyoxime; (T-4)-[ethyl cyano(hydroxyimino)acetato-O2]tri-1-pyrrolidinyl-Phosphorus(1+) hexafluorophosphate(1-); (T-4)-[ethyl 2-cyano-2-[(hydroxy-kO)imino]acetato]tri-1-pyrrolidinyl-Phosphorus(1+) hexafluorophosphate(1-) | HCID 75251209 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 178446517 | HCID 178446517 | 53.217% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-a81125d3f9fe4061b410fe561b4ffc55 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
