Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Methyl Isobutyl Ketone | HCID 7909 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | Iodide Ion | HCID 30165 | — |
| Reactant | 3-(4-Piperidyl)-6-fluoro-1,2-benzisoxazole | HCID 849421 | — |
| Reactant | HCID 18995805 | HCID 18995805 | — |
| Product | Ocaperidone | HCID 71351 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-687b7dd9a94143208321fcd80926ec60 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
