Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Acetone | HCID 180 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Nitrite | HCID 946 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | 4-Butylaniline | HCID 7694 | — |
| Reactant | Acrylonitrile | HCID 7855 | — |
| Product | HCID 53646989 | HCID 53646989 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
| ORD ID | ord-39fc5ff2346e4f81ac3e447a0a299fcd |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (4/10) |
|---|
