Lithium ion → 5-Oxo-4-(3-oxo-propyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 1121044Notes

Reaction equation

HRID 1121044 reaction equation
[Al+3:25].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:16][CH2:17][C:18]([N:19]([O:20][CH3:21])[CH3:22])=[O:23])[C:12](=[O:15])[CH2:13][CH2:14]1.[H-:24].[H-:27].[H-:28].[H-:29].[Li+:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:16][CH2:17][CH:18]=[O:23])[C:12](=[O:15])[CH2:13][CH2:14]1

Participants

5

Reactant 4

HCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 86638389HCID 86638389, compound

Product 1

HCID 866158685-Oxo-4-(3-oxo-propyl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-361550246c224bccae348af0621d0c9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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