Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | 1,3-Propanediol | HCID 10442 | — |
| Reactant | 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 67008853 | — |
| Product | HCID 67009562 | HCID 67009562 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-9f62ba8fcac9481d85b08d353f1434aa |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
