Potassium Cation → 1-(4-Ethylpiperazin-1-yl)3-[4-(1,3-dioxolan-2-ylmethyloxy)phenyl]isoquinoline

HRID 690878Notes

Reaction equation

HRID 690878 reaction equation
[Br:32][CH2:33][CH:34]1[O:35][CH2:36][CH2:37][O:38]1.[C:26](=[O:27])([O-:28])[O-:29].[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11](-[c:19]3[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]3)[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[CH2:7][CH2:8]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[K+:30].[K+:31].[OH2:39]>>[CH2:1]([CH3:2])[N:3]1[CH2:4][CH2:5][N:6]([c:9]2[n:10][c:11](-[c:19]3[cH:20][cH:21][c:22]([O:25][CH2:33][CH:34]4[O:35][CH2:36][CH2:37][O:38]4)[cH:23][cH:24]3)[cH:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]23)[CH2:7][CH2:8]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 780681,3-Dioxolane, 2-(bromomethyl)-HCID 1357190421-(1-Ethylpiperazin-4-yl)-3-(4-hydroxyphenyl)isoquinoline

Product 1

HCID 225036021-(4-Ethylpiperazin-1-yl)3-[4-(1,3-dioxolan-2-ylmethyloxy)phenyl]isoquinoline

Sources & evidence

ORD record
ord-d6f375e314884db289aed65789bb811d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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