Theophylline → [4-(1,3-Dimethylxanthin-7-yl)butyl]dimethylphosphine Oxide

HRID 94542

Reaction equation

HRID 94542 reaction equation
[CH3:2][n:3]1[c:4](=[O:5])[n:6]([CH3:14])[c:7]2[n:8][cH:9][nH:10][c:11]2[c:12]1=[O:13].[Cl:15][CH2:16][CH2:17][CH2:18][CH2:19][P:20]([CH3:21])([CH3:22])=[O:23].[Na:1]>>[CH3:2][n:3]1[c:4](=[O:5])[n:6]([CH3:14])[c:7]2[n:8][cH:9][n:10]([CH2:16][CH2:17][CH2:18][CH2:19][P:20]([CH3:21])([CH3:22])=[O:23])[c:11]2[c:12]1=[O:13]

Participants

4

Reactant 3

HCID 2153TheophyllineHCID 5360545SodiumHCID 196891574-Chlorobutyldimethylphosphine oxide

Product 1

HCID 19689134[4-(1,3-Dimethylxanthin-7-yl)butyl]dimethylphosphine Oxide

Sources & evidence

ORD record
ord-0518ade342514c409170952556c65530
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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