Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Thiophene | HCID 8030 | — |
| Reactant | 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile | HCID 91805 | — |
| Reactant | 4-(2-Fluorophenyl)-3-methylpiperidine-4-carboxylic acid | HCID 56628911 | — |
| Reactant | HCID 178418361 | HCID 178418361 | — |
| Product | Hydrochloric Acid | HCID 313 | — |
| Product | 1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-4-(2-fluorophenyl)-3-methylpiperidine-4-carboxylic acid | HCID 13094243 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-184a26a63e824269bf580605332da66b |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
