Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonium | HCID 223 | — |
| Reactant | Chloride | HCID 312 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | Palladium | HCID 23938 | — |
| Reactant | Dibenzylidene acetone | HCID 95417 | — |
| Reactant | 2-Methylpropan-2-olate | HCID 4574913 | — |
| Reactant | Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane | HCID 11618717 | — |
| Reactant | 4-[4-(Trifluoromethoxy)phenoxy]piperidine | HCID 16115439 | — |
| Reactant | 3-(4-Bromophenoxy)-2-methylpropane-1,2-diol | HCID 71059322 | — |
| Product | p-Toluenesulfonic acid | HCID 6101 | — |
| Product | 2-Methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol | HCID 53345566 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-9622d81d0eb0469da2e8113073f13711 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
