Acetone → 1-Chloro-4-(2-isocyanatopropan-2-yl)benzene

HRID 2154915Notes

Reaction equation

HRID 2154915 reaction equation
[CH3:18][C:19]([CH3:20])=[O:21].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([C:9]([Cl:10])=[O:11])([CH3:12])[CH3:13])[cH:6][cH:7]1.[N-:15]=[N+:16]=[N-:17].[Na+:14].[OH2:22]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH3:12])([CH3:13])[N:15]=[C:19]=[O:21])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 33558AzideHCID 135368632-(4-Chlorophenyl)-2-methylpropanoyl chloride

Product 1

HCID 131183231-Chloro-4-(2-isocyanatopropan-2-yl)benzene

Sources & evidence

ORD record
ord-9f07585562544820b2702d38eadc3c29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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