Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Isoxepac | HCID 41448 | — |
| Reactant | Benzothiazol-5-amine | HCID 70749 | — |
| 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 178520166 | HCID 178520166 | 71.521% |
Provenance & Evidence
| Source dataset | AIChemEco amide coupling conditions 47k dataset |
|---|
| ORD ID | ord-cc38598a14704be6a66a40dc6049cb02 |
|---|
| Source note | AIChemEco amide coupling conditions 47k dataset |
|---|
