Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzene | HCID 241 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Carbon Disulfide | HCID 6348 | — |
| Reactant | N-Acetyl-2,6-xylidine | HCID 16616 | — |
| Reactant | Hydride | HCID 166653 | — |
| Reactant | HCID 178418361 | HCID 178418361 | — |
| Product | 2,6-Xylyl isothiocyanate | HCID 87976 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
| ORD ID | ord-0bd1dd1f186f41a8b46ca9979994ec48 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
