Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Trimellitic anhydride | HCID 11089 | — |
| Reactant | 4-(Dimethylamino)pyridine | HCID 14284 | — |
| Reactant | Perhydroxyl radical | HCID 18500 | — |
| Reactant | Hydroxyl | HCID 157350 | — |
| Reactant | 4-Hydroperoxy-4-methylpentan-2-ol | HCID 15790339 | — |
| Product | Trimellitic anhydride | HCID 11089 | — |
| Product | 4-Hydroperoxy-4-methylpentan-2-ol | HCID 15790339 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
| ORD ID | ord-8ce22c6714b24973af58e3760b01b005 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
