Sodium ion → 7-[3-[4-(3-Phenylthio-propyl)-1-piperazinyl]-propyl]-theophylline

HRID 934700

Reaction equation

HRID 934700 reaction equation
[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[cH:6][n:7][c:8]2[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:12])[c:13](=[O:15])[c:14]12.[Na+:35].[OH-:34].[c:18]1([S:24][CH2:25][CH2:26][CH2:27][N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[CH2:2]([CH2:3][CH2:4][n:5]1[cH:6][n:7][c:8]2[n:9]([CH3:17])[c:10](=[O:16])[n:11]([CH3:12])[c:13](=[O:15])[c:14]12)[N:31]1[CH2:30][CH2:29][N:28]([CH2:27][CH2:26][CH2:25][S:24][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:33][CH2:32]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 961HydroxideHCID 760117-(3-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dioneHCID 21954921-(3-(Phenylthio)propyl)piperazine

Product 1

HCID 30617397-[3-[4-(3-Phenylthio-propyl)-1-piperazinyl]-propyl]-theophylline

Sources & evidence

ORD record
ord-3b69eb94ecb24ab199f5ca6d6fecd2ba
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Linked notes

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