Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Formate | HCID 283 | — |
| Reactant | Formic Acid | HCID 284 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Hydroxyammonium | HCID 933 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Sulfate Ion | HCID 1117 | — |
| Reactant | 2,4-Dihydroxybenzaldehyde | HCID 7213 | — |
| Reactant | Hexane | HCID 8058 | — |
| Product | 2,4-Dihydroxybenzonitrile | HCID 3017520 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-4067f70d5c7446648e46fc28e32ed973 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
