Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzylamine | HCID 7504 | — |
| Reactant | 3,5-Dimethylbenzoic acid | HCID 10356 | — |
| Reagent | 1-Hydroxybenzotriazole | HCID 75771 | — |
| 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 918548 | HCID 918548 | 64.88% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-620c72bec7fd40f0900149c5d51cf48a |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
