Acetone → 1,4-Bis-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazol-1-yl)-butan-2-one

HRID 949306Notes

Reaction equation

HRID 949306 reaction equation
[CH3:52][C:53]#[N:54].[CH3:55][C:56](=[O:57])[CH3:58].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8]([C:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)([CH3:19])[CH3:20])=[O:21])[Br:22])[cH:23][cH:24]1.[OH2:30].[OH2:31].[OH2:32].[OH2:33].[c:34]1([S:35]([OH:36])(=[O:37])=[O:38])[c:39]2[cH:40][cH:41][cH:42][c:43]([S:44]([OH:45])(=[O:46])=[O:47])[c:48]2[cH:49][cH:50][cH:51]1.[nH:25]1[cH:26][n:27][cH:28][cH:29]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([C:8]([C:9]([CH2:10][O:11][c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)([CH3:19])[CH3:20])=[O:21])[n:25]2[cH:26][n:27][cH:28][cH:29]2)[cH:23][cH:24]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 795ImidazoleHCID 962Water4×HCID 6342AcetonitrileHCID 66661,5-Naphthalenedisulfonic acidHCID 127659701,4-Bis-(4-chlorophenoxy)-1-bromo-3,3-dimethyl-butan-2-one

Product 1

HCID 127659761,4-Bis-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazol-1-yl)-butan-2-one

Sources & evidence

ORD record
ord-a6e17d00531b4612bd5521b7f8d9144c
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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