Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Cyanide | HCID 5975 | — |
| Reactant | Dimethylformamide | HCID 6228 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Zinc(2+) | HCID 32051 | — |
| Reactant | 6-Bromoisoquinoline | HCID 313681 | — |
| Reactant | HCID 178420554 | HCID 178420554 | — |
| Product | Isoquinoline-6-carbonitrile | HCID 23130705 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-303302a083dd45fdb71400d980f68469 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
