Acetonitrile → Alpha-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-4-(phenylmethoxy)1(2h)-pyridinepropanoic acid methyl ester

HRID 120449

Reaction equation

HRID 120449 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][c:30]1[cH:31][c:32](=[O:36])[nH:33][cH:34][cH:35]1.[CH3:1][O:2][C:3]([C:4](=[CH2:5])[N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21].[CH3:43][C:44]#[N:45].[Cs+:41].[Cs+:42]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][n:33]1[c:32](=[O:36])[cH:31][c:30]([O:29][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:35][cH:34]1)[N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 36077244-Benzyloxy-2(1H)-pyridoneHCID 10870342Methyl 2-(bis((tert-butoxy)carbonyl)amino)prop-2-enoate

Product 1

HCID 58864469Alpha-[bis[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-4-(phenylmethoxy)1(2h)-pyridinepropanoic acid methyl ester

Sources & evidence

ORD record
ord-99cd708437b844e4acb72d3945c1a384
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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