Ammonia → alpha-Amino-1,3-benzodioxole-5-acetonitrile

HRID 88607

Reaction equation

HRID 88607 reaction equation
[C-:15]#[N:16].[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)[O:9][CH2:8][O:7]2.[Cl-:13].[K+:17].[Mg+2:18].[NH3:12].[NH4+:14].[O-:19][S:20]([O-:21])(=[O:22])=[O:23]>>[CH:1]([c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)[O:9][CH2:8][O:7]2)([NH2:12])[C:15]#[N:14]

Participants

10

Reactant 9

HCID 222AmmoniaHCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 888Magnesium CationHCID 1117Sulfate IonHCID 5975CyanideHCID 8028TetrahydrofuranHCID 8438Piperonal

Product 1

HCID 4405684alpha-Amino-1,3-benzodioxole-5-acetonitrile

Sources & evidence

ORD record
ord-f5b03884218c4ea783a2a2ace0350abc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…