Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Calcium Cation | HCID 271 | — |
| Reactant | Chloride | HCID 312 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Hydroxide | HCID 961 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | 4-Fluorobenzene-1,2-diamine | HCID 164584 | — |
| Reactant | 4-Amino-3-nitrobenzonitrile | HCID 595901 | — |
| Reactant | 3-Fluorobenzene-1,2-diamine | HCID 2782835 | — |
| Product | 3,4-Diaminobenzonitrile | HCID 737285 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-431b8beabcd74834a3f8080bd268279c |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
