Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | 3-Chloro-2-fluoro-5-(trifluoromethyl)benzonitrile | HCID 19773824 | — |
| Reactant | HCID 19779367 | HCID 19779367 | — |
| Reactant | 5-Methyl-6-(trifluoromethyl)pyrimidin-4(1H)-one | HCID 135588800 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Product | HCID 19779400 | HCID 19779400 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
| ORD ID | ord-774da1f6fb1c42cc83df0c7d0d46f9d8 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
