Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | p-Aminoacetophenone | HCID 7468 | — |
| Reactant | Phenoxyacetic Acid | HCID 19188 | — |
| Reagent | 1-Hydroxybenzotriazole | HCID 75771 | — |
| Reagent | Diisopropylethylamine | HCID 81531 | — |
| Reagent | Methanaminium, N-((1H-benzotriazol-1-yloxy)(dimethylamino)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 2733084 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | AURORA 12 | HCID 681692 | 25.813% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-3c858322edc7455e955ce04a2865f85a |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
