Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Bicarbonate Ion | HCID 769 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 2-(4-Fluorophenyl)acetyl isothiocyanate | HCID 23153248 | — |
| Reactant | HCID 57677632 | HCID 57677632 | — |
| Product | HCID 57677693 | HCID 57677693 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-b2b2eec90c034bf498ea6f5dbd164e9e |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
