Heptane → 1-Propanone, 2-chloro-2-methyl-1-phenyl-

Reaction equation

[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[CH3:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[S:12]([Cl:13])(=[O:14])([Cl:15])=[O:16]>>[C:1]([C:2]([CH3:3])([CH3:4])[Cl:15])(=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1

Participants

Reactant 3

HCID 8900Heptane

HCID 24648Sulfuryl chloride

HCID 69144Isobutyrophenone

Product 1

HCID 819851-Propanone, 2-chloro-2-methyl-1-phenyl-

Sources & evidence

ORD record: ord-f1cc3150746649898f052ce519d9f471
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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