Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Acetone | HCID 180 | — |
| Reactant | Chloride | HCID 312 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Methylumbelliferone | HCID 10748 | — |
| Product | Coumarin | HCID 323 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-0c3dd54f98c2488fa4a6fff9ed7aebe6 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
