Dimethyl Sulfoxide → (4-Isobutylphenyl)acetonitrile

HRID 101427Notes

Reaction equation

[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][Cl:10])[cH:11][cH:12]1.[CH3:16][S:17]([CH3:18])=[O:19].[Na:13][C:14]#[N:15].[OH2:20]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][C:14]#[N:15])[cH:11][cH:12]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 962Water

HCID 1812891-(Chloromethyl)-4-(2-methylpropyl)benzene

HCID 178511850HCID 178511850, compound

Product 1

HCID 170426(4-Isobutylphenyl)acetonitrile

Sources & evidence

ORD record: ord-f7285466aa6244978fae9e86bed9f1fc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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