Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | Chloroform | HCID 6212 | — |
| Reactant | 3-Methylbutanal | HCID 11552 | — |
| Reactant | p-Toluenesulfonate | HCID 85570 | — |
| Reactant | Pyridinium | HCID 4989215 | — |
| Reactant | HCID 21075716 | HCID 21075716 | — |
| Product | HCID 69176562 | HCID 69176562 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-a0267f791ae4435fa54f6bf4ce1cf5c0 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
