Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Benzenepropanoyl chloride | HCID 64801 | — |
| Reactant | Piperazine-1-carboxylic acid benzo[d]isoxazol-3-ylamide | HCID 68724237 | — |
| Product | HCID 68779114 | HCID 68779114 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-b334dd3aae7d49608e16a255a50cd117 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
