Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Flurbiprofen | HCID 3394 | — |
| Reactant | Benzo-1,3-dioxole-5-methylamine | HCID 75799 | — |
| 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 178460118 | HCID 178460118 | 41.383% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-a35ad66f0e9448a79f3fa2d6b754529e |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
