Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Sulfuric Acid | HCID 1118 | — |
| Reactant | Urea | HCID 1176 | — |
| Reactant | Aniline | HCID 6115 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 2-Tert-butyl-5-nitroaniline | HCID 826103 | — |
| Product | 2-Tert-butyl-5-nitrophenol | HCID 21959617 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
| ORD ID | ord-5e39f1f4283e4261842e29cf50c715a3 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
