Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Bromide ion | HCID 259 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | 1,3-Dimethyl-2-imidazolidinone | HCID 6661 | — |
| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | tert-Butyl methyl ether | HCID 15413 | — |
| Reactant | Tetrabutylammonium | HCID 16028 | — |
| Reactant | 3-Chloro-N,N-dimethyl-1-propanamine | HCID 66960 | — |
| Reactant | Hydride | HCID 166653 | — |
| Reactant | 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile | HCID 9856159 | — |
| Product | Citalopram | HCID 2771 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
| ORD ID | ord-8028a5078d3643c3bd9124632601d4a3 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (1/10) |
|---|
