Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Iodide Ion | HCID 30165 | — |
| Reactant | Methyl 4-amino-3-bromobenzoate | HCID 1515280 | — |
| Product | Methyl 3-bromo-4-iodobenzoate | HCID 17750019 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
| ORD ID | ord-51fa97a1d3bc4b0cbd6c0714ff5f6d09 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
