Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Sulfuric Acid | HCID 1118 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 2-Amino-3-bromo-5-nitrobenzonitrile | HCID 87173 | — |
| Product | 3-Bromo-5-nitrobenzonitrile | HCID 5152425 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
| ORD ID | ord-8d81e7bc2b024121867dfacc9042c560 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
