Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | 4-Aminobenzoic Acid | HCID 978 | — |
| Reactant | Carbon Disulfide | HCID 6348 | — |
| Reactant | Hydrogen iodide | HCID 24841 | — |
| Reactant | 1,4-Dioxane | HCID 31275 | — |
| Product | 4-Isothiocyanatobenzoic acid | HCID 242946 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-5d0dec6c8d204635b2a52d8957aaad91 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
