Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Dimethyl Sulfoxide | HCID 679 | — |
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Oxalic Acid | HCID 971 | — |
| Reactant | 2,5-Dichloronitrobenzene | HCID 6977 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | 4-(4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)benzonitrile | HCID 10132164 | — |
| Product | Citalopram | HCID 2771 | — |
| Product | Oxalate | HCID 71081 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
| ORD ID | ord-ef7793f781f34591a2d0c11fa2509643 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (7/10) |
|---|
