Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetate | HCID 175 | — |
| Reactant | Acetone | HCID 180 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Potassium Cation | HCID 813 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Ethyl 2-amino-3-sulfanylpropanoate | HCID 3297 | — |
| Reactant | 5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-1, 2-benzisothiazole-3-carboxaldehyde | HCID 17852368 | — |
| Product | HCID 178470100 | HCID 178470100 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-42532d46ac91423095abf9be615dc818 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
