Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Ethanol | HCID 702 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Water | HCID 962 | — |
| Reactant | Titanium cation (4+) | HCID 114942 | — |
| Reactant | Cyano-borohydride | HCID 498716 | — |
| Reactant | Isopropanolate | HCID 3260420 | — |
| Reactant | HCID 23156185 | HCID 23156185 | — |
| Product | HCID 69437508 | HCID 69437508 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
| ORD ID | ord-8b8975ad89ec4885a76d7eaa287772e6 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (10/10) |
|---|
