Sodium Ion → 3-Phenylpropane-1,2-diamine

Reaction equation

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

Participants

Reactant 7

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 6344Dichloromethane

HCID 14487Diisobutylaluminum hydride

HCID 166653Hydride

HCID 5613842-Amino-3-phenylpropanenitrile

HCID 16686348Bis(2-methylpropyl)alumanylium

Product 1

HCID 4134343-Phenylpropane-1,2-diamine

Sources & evidence

ORD record: ord-bb3de68e6ee34f4dab4a89ee8b9c56a9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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