Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Benzene | HCID 241 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Ethyl cyanoacetate | HCID 7764 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 5-Fluoro-1-indanone | HCID 136537 | — |
| Product | HCID 68892424 | HCID 68892424 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-b9abbb3112a44d7491378c5afc669aca |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
