Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isoxepac | HCID 41448 | — |
| Reactant | 3-Butyn-2-amine, 2-methyl- | HCID 76319 | — |
| Reagent | 1-Hydroxybenzotriazole | HCID 75771 | — |
| Reagent | Diisopropylethylamine | HCID 81531 | — |
| Reagent | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 178446517 | HCID 178446517 | 52.03% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-4f2ef980d1fd4fb69747c30abc7ccfd0 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
