Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Chloride | HCID 312 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Dichloromethane | HCID 6344 | — |
| Reactant | Titanium cation (4+) | HCID 114942 | — |
| Reactant | 4-Trifluoromethyl-alpha,alpha-dimethylbenzyl chloride | HCID 19709795 | — |
| Reactant | HCID 178477796 | HCID 178477796 | — |
| Product | 4-tert-Butylbenzotrifluoride | HCID 12070544 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
| ORD ID | ord-e6ab4986a9d549f79ba799afccbb4380 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
