Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 1,3-Propanediol | HCID 10442 | — |
| Reactant | p-Toluenesulfonate | HCID 85570 | — |
| Reactant | Pyridinium | HCID 4989215 | — |
| Reactant | HCID 19900725 | HCID 19900725 | — |
| Product | HCID 19900723 | HCID 19900723 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-722b580f8a9048e497d19a5349ebe2b8 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
