Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzene | HCID 241 | — |
| Reactant | Mci-186 | HCID 4021 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | Benzene, 1-isocyanato-4-nitro- | HCID 66012 | — |
| Product | Triethylammonium | HCID 1385867 | — |
| Product | 3-methyl-N-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazole-4-carboxamide | HCID 20335443 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-3fd6dd04b68a4440b4d9f86b854455f6 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
