Ethyl Acetate → 1-(4-Aminophenyl)-5-ethyl-3-n-propyl-3-azabicyclo[3.1.1]heptane-2,4-dione
Reaction equation
[CH2:1]([CH3:2])[C:3]12[C:4](=[O:23])[N:5]([CH2:20][CH2:21][CH3:22])[C:6](=[O:19])[C:7]([c:10]3[cH:11][cH:12][c:13]([N+:16]([O-:17])=[O:18])[cH:14][cH:15]3)([CH2:8]1)[CH2:9]2.[CH3:24][CH2:25][O:26][C:27](=[O:28])[CH3:29]>>[CH2:1]([CH3:2])[C:3]12[C:4](=[O:23])[N:5]([CH2:20][CH2:21][CH3:22])[C:6](=[O:19])[C:7]([c:10]3[cH:11][cH:12][c:13]([NH2:16])[cH:14][cH:15]3)([CH2:8]1)[CH2:9]2Participants
3
Sources & evidence
- ORD record
- ord-008453d6b4f44af99dec481cace3b5bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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