Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Ethyl cyanoacetate | HCID 7764 | — |
| Reactant | Piperidine | HCID 8082 | — |
| Reactant | Tetrahydro-4H-pyran-4-one | HCID 121599 | — |
| Product | HCID 10679379 | HCID 10679379 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-11e4ae336f774bd1814237bf73cf1235 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
