Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Ethyl chloroformate | HCID 10928 | — |
| Reactant | 2-Bromo-5-nitrothiazole | HCID 18211 | — |
| Reactant | 3-Amino-1-(2-(trifluoromethyl)phenyl)thiourea | HCID 723187 | — |
| Reactant | 2-(Trifluoromethyl)phenyl isothiocyanate | HCID 737162 | — |
| Reactant | HCID 178518949 | HCID 178518949 | — |
| Product | HCID 178526847 | HCID 178526847 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-90906a6345cb478da66b01e36c6af700 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
