Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Cumene | HCID 7406 | — |
| Reactant | Ethyl Acetate | HCID 8857 | — |
| Reactant | 2-Methylheptane | HCID 11594 | — |
| Reactant | Perhydroxyl radical | HCID 18500 | — |
| Reactant | Butanedioic acid, 2,3-dihydroxy-, diethyl ester, S-(R*,R*)- | HCID 62333 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Titanium cation (4+) | HCID 114942 | — |
| Reactant | Isopropanolate | HCID 3260420 | — |
| Reactant | HCID 178488125 | HCID 178488125 | — |
| Product | Omeprazole | HCID 4594 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
| ORD ID | ord-22b27c7ee5fe43c7ac6c2419a6df4d83 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (9/10) |
|---|
