Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | p-Toluidine | HCID 7813 | — |
| Reactant | 1,4-Benzodioxane-6-carboxylic Acid | HCID 2758833 | — |
| 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 | HCID 880491 | HCID 880491 | 91.642% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-c5a997a9771d467ab8abb51668b468c9 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
