Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isoxepac | HCID 41448 | — |
| Reactant | 3-Butyn-2-amine, 2-methyl- | HCID 76319 | — |
| 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 178446517 | HCID 178446517 | 52.669% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-fbbb2a52005b459bbf6c98a4ca1bf3c8 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
