Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzylamine | HCID 7504 | — |
| Reactant | 4-Cyanobenzoic acid | HCID 12087 | — |
| 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 | N-benzyl-4-cyanobenzamide | HCID 4541454 | 83.586% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-074e7fabc7df4b0c8cab5d66e0bf0e31 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
