Citric Acid → 1-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

HRID 290528

Reaction equation

HRID 290528 reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][CH2:6][CH3:7].[CH2:8]([O:9][C:11]([CH2:12][NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)=[O:24])[CH3:10].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[H-:25].[Na+:26].[OH:27][C:28]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH2:34][C:35](=[O:36])[OH:37])[OH:38])=[O:39]>>[C:1]([CH:2]1[CH2:3][N:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:12][C:11]1=[O:24])(=[O:4])[O:5][CH2:6][CH3:7]

Participants

8

Reactant 7

HCID 311Citric AcidHCID 923Sodium ionHCID 1140TolueneHCID 8821Ethyl AcrylateHCID 8857Ethyl AcetateHCID 14366N-((Phenylmethoxy)carbonyl)glycine ethyl esterHCID 166653Hydride

Product 1

HCID 150432781-Benzyl 3-ethyl 4-oxopyrrolidine-1,3-dicarboxylate

Sources & evidence

ORD record
ord-1809ed55bb9946e68fe8d6df4dc2fec7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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