Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzene | HCID 241 | — |
| Reactant | Dimethyl Sulfoxide | HCID 679 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Oxalic Acid | HCID 971 | — |
| Reactant | Pyridine | HCID 1049 | — |
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | Dicyclohexylcarbodiimide | HCID 10868 | — |
| Reactant | 2-Nitrophenethyl alcohol | HCID 27054 | — |
| Product | 2-Nitrobenzeneacetaldehyde | HCID 10844764 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
| ORD ID | ord-7e8cdbfde21f45dca9c2ffeb2d76716c |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
