Thionyl Chloride → 5-[(4-Methyl-1-piperazinyl)-carbonyl]-8-chloro-1,4-benzodioxane

HRID 290862Notes

Reaction equation

HRID 290862 reaction equation
[CH3:33][N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[Cl:19][c:20]1[c:21]2[c:26]([c:27]([C:28]([Cl:29])=[O:30])[cH:31][cH:32]1)[O:25][CH2:24][CH2:23][O:22]2.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:12](=[O:13])[OH:14])[c:6]2[c:7]1[O:8][CH2:9][CH2:10][O:11]2.[S:15]([Cl:16])([Cl:17])=[O:18]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:12](=[O:14])[N:37]2[CH2:36][CH2:35][N:34]([CH3:33])[CH2:39][CH2:38]2)[c:6]2[c:7]1[O:8][CH2:9][CH2:10][O:11]2

Participants

5

Reactant 4

HCID 24386Thionyl ChlorideHCID 531671-MethylpiperazineHCID 205447468-Chloro-1,4-benzodioxane-5-carbonyl chlorideHCID 233670468-Chloro-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid

Product 1

HCID 205447025-[(4-Methyl-1-piperazinyl)-carbonyl]-8-chloro-1,4-benzodioxane

Sources & evidence

ORD record
ord-750ed6edbc514142a4070ec6485e6ef0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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