Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Sulfate Ion | HCID 1117 | — |
| Reactant | Ethylenediamine | HCID 3301 | — |
| Reactant | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Reactant | Cupric cation | HCID 27099 | — |
| Reactant | Methyl 5-bromosalicylate | HCID 77683 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Product | Methyl 5-cyano-2-hydroxybenzoate | HCID 10583428 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
| ORD ID | ord-1b8aef537ed44059ac9d83cfab789b49 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
