Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Benzoic Acid | HCID 243 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Ethylbenzene | HCID 7500 | — |
| Reactant | Manganese(2+) | HCID 27854 | — |
| Reactant | Cobalt(2+) | HCID 104729 | — |
| Reactant | 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl acetate | HCID 265566 | — |
| Product | Acetophenone | HCID 7410 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-60c55bf097c44c2c86b51f2ab8d8c7d7 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
