Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Chloride | HCID 312 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Toluene | HCID 1140 | — |
| Reactant | Cyanide | HCID 5975 | — |
| Reactant | 3-Chloro-2-methylaniline | HCID 6894 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | HCID 178511850 | HCID 178511850 | — |
| Product | 3-Chloro-2-methylbenzonitrile | HCID 521508 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-27c47e2a259247699b805e71d223db85 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
