Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Ammonia | HCID 222 | — |
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Benzoyl chloride | HCID 7412 | — |
| Reactant | Thiocyanate | HCID 9322 | — |
| Reactant | 6-Methylisoquinolin-5-amine | HCID 39733698 | — |
| Product | HCID 85719099 | HCID 85719099 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-bd2826287b43482a839847ea267beba9 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
