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 | Acetophenone | HCID 7410 | — |
| Reactant | Methyl cyanoacetate | HCID 7747 | — |
| Product | Methyl 2-cyano-3-phenylbutyrate | HCID 13276234 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
| ORD ID | ord-bf9e81b6cbb344d980db4f7a0d5830f9 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
