Acetonitrile → 5-Ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

HRID 167141

Reaction equation

HRID 167141 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH2:7][C:8]([NH2:9])=[O:10])[NH:11][C:12](=[O:13])[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22].[CH3:30][C:31]#[N:32].[N:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29]>>[CH2:1]([CH3:2])[O:3][C:4]([CH:5]([CH2:6][CH2:7][C:8](=[O:10])[OH:24])[NH:11][C:12](=[O:13])[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 10906Tert-Butyl nitriteHCID 140366882-Benzyloxycarbonylamino-4-carbamoyl-butyric acid ethyl ester

Product 1

HCID 2924245-Ethoxy-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid

Sources & evidence

ORD record
ord-7adc2a8cc0e74489a6e613c0a678d763
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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