Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonia | HCID 222 | — |
| Reactant | Isopropanol | HCID 3776 | — |
| Reactant | 2-Methoxyethanol | HCID 8019 | — |
| Reactant | Isopropyl acetoacetate | HCID 68329 | — |
| Reactant | 2,2,6-Trimethyl-4H-1,3-dioxin-4-one | HCID 79368 | — |
| Reactant | 2-Methoxyethyl acetoacetate | HCID 89734 | — |
| Product | Isopropyl3-aminocrotonate | HCID 3271821 | — |
Provenance & Evidence
| DOI | 10.1039/C8SC04228D |
|---|
| Source dataset | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
| ORD ID | ord-7cd02929dad64d3e8b3ab4160cbdea7e |
|---|
| Source note | Training data from https://doi.org/10.1039/C8SC04228D (2/10) |
|---|
