Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Methyl Isobutyl Ketone | HCID 7909 | — |
| Reactant | Carbonate Ion | HCID 19660 | — |
| Reactant | 3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione | HCID 78766 | — |
| Reactant | (4-Fluorophenyl)(piperidin-4-yl)methanol | HCID 4778266 | — |
| Product | Acetic Acid | HCID 176 | — |
| Product | 3-(2-(4-((4-Fluorophenyl)hydroxymethyl)-1-piperidinyl)ethyl)-2,4(1H,3H)-quinazolinedione | HCID 156394 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-74eee675391c4357bc054440314b634b |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
