Sodium Ion → 4-Methyl-7,7-diphenyl-1,4-oxazepane

Reaction equation

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

Participants

Reactant 8

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 3283Diethyl Ether

HCID 28486Lithium ion

HCID 104727Aluminum Cation

HCID 166653Hydride4×

HCID 20326661HCID 20326661, compound

Product 1

Sources & evidence

ORD record: ord-6a1e7ffd345c421780fe178b852f3d31
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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