Sodium ion → Tert-butyl 4-(hydroxymethyl)azepane-1-carboxylate

HRID 2162338Notes

Reaction equation

HRID 2162338 reaction equation
[Al+3:21].[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[H-:20].[H-:23].[H-:24].[H-:25].[Li+:22].[N:1]1([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:2][CH2:3][CH:4]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH2:5][CH2:6][CH2:7]1.[Na+:27].[Na+:28].[O-:29][S:30]([O-:31])(=[O:32])=[O:33].[OH2:26]>>[N:1]1([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:2][CH2:3][CH:4]([CH2:8][OH:9])[CH2:5][CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 1117Sulfate IonHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 667519511-tert-Butyl 4-ethyl azepane-1,4-dicarboxylate

Product 1

HCID 68708706Tert-butyl 4-(hydroxymethyl)azepane-1-carboxylate

Sources & evidence

ORD record
ord-dc64ca0036274cc0879871a82e8accd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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