Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Diethyl Ether | HCID 3283 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)- | HCID 18462 | — |
| Reactant | 2-(4-Fluorophenyl)acetyl isothiocyanate | HCID 23153248 | — |
| Reactant | HCID 23153442 | HCID 23153442 | — |
| Product | HCID 23153522 | HCID 23153522 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
| ORD ID | ord-67b814bf5cc744139e06c8988e924fb5 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
