Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonia | HCID 222 | — |
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Chloride | HCID 312 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Reactant | Methyl 4-bromo-2-iodobenzoate | HCID 58484707 | — |
| Reactant | HCID 178418260 | HCID 178418260 | — |
| Product | Methyl 4-bromo-2-cyanobenzoate | HCID 58484706 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-67fbe0eaf440443ca9756e73e38088cb |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
