Hydrogen Cyanide → 2-Amino-3-phenylpropanenitrile

HRID 159733

Reaction equation

HRID 159733 reaction equation
[CH2:11]([Al+:12][CH2:13][CH:14]([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[C:8]#[N:9].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:41][OH:42].[CH:20]#[N:21].[H-:10].[Na+:22].[Na+:23].[O-:24][S:25](=[O:26])(=[O:27])[O-:28].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]([NH2:9])[C:20]#[N:21]

Participants

10

Reactant 9

HCID 768Hydrogen CyanideHCID 887MethanolHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 1140TolueneHCID 8028TetrahydrofuranHCID 8794PhenylacetonitrileHCID 166653HydrideHCID 16686348Bis(2-methylpropyl)alumanylium

Product 1

HCID 5613842-Amino-3-phenylpropanenitrile

Sources & evidence

ORD record
ord-d9ee970d22de49d8946c802535a771e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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