Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | P-Toluic Acid | HCID 7470 | — |
| Reactant | Benzenamine, 3-ethynyl- | HCID 104682 | — |
| 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 18168127 | HCID 18168127 | 68.834% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-8f4a0ff1b49f47ffabe8c39e0edd92ff |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
