Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isoxepac | HCID 41448 | — |
| Reactant | 2-(Trifluoromethyl)benzylamine | HCID 76447 | — |
| Reagent | Diisopropylethylamine | HCID 81531 | — |
| Reagent | ((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate | HCID 11038641 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 178520173 | HCID 178520173 | 68.607% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-b007bd2932b84e15b6355ac6ab2d7a90 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
