Potassium Cation → 2-[[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methyl]isoindole-1,3-dione

HRID 950723

Reaction equation

HRID 950723 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1.[Cl:23][c:24]1[cH:25][cH:26][c:27]([OH:42])[c:28]([CH2:29][N:30]2[C:31](=[O:40])[c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[C:38]2=[O:39])[cH:41]1.[I-:22].[K+:21].[K+:47].[K+:48].[OH2:54]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[O:42][c:27]1[cH:26][cH:25][c:24]([Cl:23])[cH:41][c:28]1[CH2:29][N:30]1[C:31](=[O:40])[c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[C:38]1=[O:39]

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 219732762-Chloro-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanoneHCID 219732982-[5-Chloro-2-hydroxy benzyl]isoindole-1,3-dione

Product 1

HCID 219734982-[[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methyl]isoindole-1,3-dione

Sources & evidence

ORD record
ord-20fded341e7d400bb48478ee641673eb
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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