Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Hydroxide | HCID 961 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Cyanide | HCID 5975 | — |
| Reactant | N,N'-Dimethylethylenediamine | HCID 8070 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Benzene, 1-bromo-3-(trifluoromethyl)- | HCID 9817 | — |
| Reactant | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| Product | 3-(Trifluoromethyl)benzonitrile | HCID 67783 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
| ORD ID | ord-4e63fcaa696548b692bbb24287a86115 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
