Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Methanol | HCID 887 | — |
| Reactant | Sodium ion | HCID 923 | — |
| Reactant | Cyano-borohydride | HCID 498716 | — |
| Reactant | Ethyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate | HCID 13248994 | — |
| Reactant | 5-Methyl-3-(2-pyridinyl)-4-isoxazolecarboxaldehyde | HCID 86761558 | — |
| Product | HCID 66646088 | HCID 66646088 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
| ORD ID | ord-189ecb9603bf422a8aeb14574fa3cfd0 |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (8/10) |
|---|
