Lithium ion → 2-(4-Methylbenzyl)azepane

HRID 110898Notes

Reaction equation

[Al+3:18].[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:14])[NH:13]2)[cH:15][cH:16]1.[H-:17].[H-:20].[H-:21].[H-:22].[Li+:19]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:13]2)[cH:15][cH:16]1

Participants

Reactant 4

HCID 28486Lithium ion

HCID 104727Aluminum Cation

HCID 166653Hydride4×

HCID 123493267-(4-Methylbenzyl)perhydroazepin-2-one

Product 1

HCID 42391592-(4-Methylbenzyl)azepane

Sources & evidence

ORD record: ord-afe153ff71024191b1d2e644220c088e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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