Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | Iodide Ion | HCID 30165 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 5-Methoxy-4-(piperazin-1-yl)pyrimidine | HCID 10420152 | — |
| Reactant | HCID 10713556 | HCID 10713556 | — |
| Product | Avitriptan | HCID 133081 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-9e4fc9ae978d404f8f8fe455d72fbf6f |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
