Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Hydroxide | HCID 961 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | 6-[{4-[(4-butylphenyl)ethynyl]benzyl}(hexyl)amino]-2,2-dimethyl-4H-1,3-benzodioxin-4-one | HCID 57554515 | — |
| Product | Hydrochloric Acid | HCID 313 | — |
| Product | 5-((4-((4-Butylphenyl)ethynyl)benzyl)(hexyl)amino)-2-hydroxybenzoic acid | HCID 11497282 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
| ORD ID | ord-c5f2e2a8b2974e85a93d0727fc5609c4 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (5/10) |
|---|
