Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzene | HCID 241 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Cuprous chloride | HCID 62652 | — |
| Reactant | 2-Ethoxy-4-aminobenzoic acid | HCID 10176385 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Reactant | HCID 178511850 | HCID 178511850 | — |
| Product | 4-Cyano-2-ethoxybenzoic acid | HCID 22675038 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
| ORD ID | ord-b413e19affb4460c88a0b588deb982c9 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
