Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Hexane | HCID 8058 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | O,O-Diethyl dithiophosphate | HCID 9274 | — |
| Reactant | 1,4-Dioxane | HCID 31275 | — |
| Reactant | 2-Methyl-3-nitrobenzonitrile | HCID 12553822 | — |
| Product | 2-Methyl-3-nitrobenzothioamide | HCID 58279537 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
| ORD ID | ord-9259b960739d4b118d4e176b93e435a0 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (6/10) |
|---|
