Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | Iodide Ion | HCID 30165 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | 5-(5-chloro-1-(4-(2,2-difluoroethoxy)phenyl)pentyl)-N-(4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-3-fluorophenyl)-1H-1,2,4-triazol-3-amine | HCID 86649932 | — |
| Product | Trifluoroacetic acid | HCID 6422 | — |
| Product | 9-[4-(2,2-difluoroethoxy)phenyl]-N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-fluorophenyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine | HCID 58110147 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-dd4a6444b4574352948e848581bbe8d5 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
