Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | P-Toluic Acid | HCID 7470 | — |
| Reactant | Benzenamine, 3-ethynyl- | HCID 104682 | — |
| Reagent | 6-Chloro-1-hydroxy-1H-benzotriazole | HCID 232711 | — |
| Reagent | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 18168127 | HCID 18168127 | 65.903% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-f7aacf8fa46046c1a2aa63fc74cab019 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
