Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetaldehyde | HCID 177 | — |
| Reactant | Acetone | HCID 180 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Methanol | HCID 887 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Butenedioate | HCID 164547 | — |
| Reactant | Cyano-borohydride | HCID 498716 | — |
| Reactant | HCID 9794556 | HCID 9794556 | — |
| Product | 2-Butenedioic acid | HCID 723 | — |
| Product | HCID 67946008 | HCID 67946008 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
| ORD ID | ord-bd6413ca46d1431db232899fca52eb3b |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (3/10) |
|---|
