Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | Ethyl 2-cyanopropionate | HCID 98018 | — |
| Reactant | tert-Butyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate | HCID 13304921 | — |
| Product | HCID 178457570 | HCID 178457570 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
| ORD ID | ord-8d424b32e54647c288721ff7744fdaa3 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
