Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | 3,5-Bis(trifluoromethyl)benzyl bromide | HCID 122573 | — |
| Reactant | Npc316347 | HCID 3280088 | — |
| Reactant | N-methyl-6-(4-methyl-piperazin-1-yl)-4-o-tolyl-nicotinamide | HCID 15481065 | — |
| Product | Imnopitant | HCID 9808518 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-0c4840e04f1843089c6fe83f0fcaa713 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
