Acetate → HCID 58116948, compound

HRID 163864Notes

Reaction equation

HRID 163864 reaction equation
[CH3:24][C:25](=[O:26])[O-:27].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[NH4+:23].[O:9]=[C:10]1[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]1.[o:1]1[n:2][cH:3][cH:4][c:5]1[CH2:6][C:7]#[N:8]>>[o:1]1[n:2][cH:3][cH:4][c:5]1[C:6]([C:7]#[N:8])=[C:10]1[CH2:11][CH2:12][N:13]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:14][CH2:15]1

Participants

6

Reactant 5

HCID 175AcetateHCID 223AmmoniumHCID 1140TolueneHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 49625462-(1,2-Oxazol-5-yl)acetonitrile

Product 1

HCID 58116948HCID 58116948, compound

Sources & evidence

ORD record
ord-45883c172f504aa19782c1f5683b3463
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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