Bicarbonate Ion → (4aRS,5SR,8aRS)-1-benzyl-5-(3-hydroxypyrrolidin-1-yl)perhydroquinoxaline-2,3-dione

Reaction equation

[Br:26][CH2:27][CH:28]([CH2:29][CH2:30][Br:31])[OH:32].[CH3:33][C:34]#[N:35].[NH2:1][CH:2]1[CH:3]2[NH:4][C:5](=[O:20])[C:6](=[O:19])[N:7]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH:8]2[CH2:9][CH2:10][CH2:11]1.[Na+:25].[O-:21][C:22]([OH:23])=[O:24]>>[N:1]1([CH:2]2[CH:3]3[NH:4][C:5](=[O:20])[C:6](=[O:19])[N:7]([CH2:12][c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[CH:8]3[CH2:9][CH2:10][CH2:11]2)[CH2:27][CH:28]([OH:32])[CH2:29][CH2:30]1

Participants

Reactant 5

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 6342Acetonitrile

HCID 295701,4-Dibromo-2-butanol

HCID 68777664(4aRS,5SR,8aRS)-5-amino-1-benzylperhydroquinoxaline-2,3-dione

Product 1

HCID 68778432(4aRS,5SR,8aRS)-1-benzyl-5-(3-hydroxypyrrolidin-1-yl)perhydroquinoxaline-2,3-dione

Sources & evidence

ORD record: ord-6e2c5d5e5e254a2f9202fb0cb4505828
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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