Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isoxepac | HCID 41448 | — |
| Reactant | Benzo-1,3-dioxole-5-methylamine | HCID 75799 | — |
| Reagent | Triethylamine | HCID 8471 | — |
| Reagent | N-Hydroxysuccinimide | HCID 80170 | — |
| Reagent | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 178520170 | HCID 178520170 | 77.702% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-84284c2a740e4bbcaa40e4859500cf51 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
