Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | 1,4-Anhydrothreitol | HCID 90803 | — |
| Reactant | 3'-Fluoro-4'-{[5-oxo-4-(4-oxocyclohexyl)-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile | HCID 67008884 | — |
| Product | HCID 77166455 | HCID 77166455 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
| ORD ID | ord-fd780b9cfece4629ac64e509ffff609e |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
