Theobromine → Diethyl [3-(3,7-dimethylxanthin-1-yl)propyl]phosphonate

HRID 149815

Reaction equation

HRID 149815 reaction equation
[Br:14][CH2:15][CH2:16][CH2:17][P:18]([O:19][CH2:20][CH3:21])(=[O:22])[O:23][CH2:24][CH3:25].[nH:1]1[c:2](=[O:3])[n:4]([CH3:5])[c:6]2[n:7][cH:8][n:9]([CH3:10])[c:11]2[c:12]1=[O:13]>>[n:1]1([CH2:15][CH2:16][CH2:17][P:18]([O:19][CH2:20][CH3:21])(=[O:22])[O:23][CH2:24][CH3:25])[c:2](=[O:3])[n:4]([CH3:5])[c:6]2[n:7][cH:8][n:9]([CH3:10])[c:11]2[c:12]1=[O:13]

Participants

3

Reactant 2

HCID 5429TheobromineHCID 283500Diethyl (3-bromopropyl)phosphonate

Product 1

HCID 22446287Diethyl [3-(3,7-dimethylxanthin-1-yl)propyl]phosphonate

Sources & evidence

ORD record
ord-4f2f889067404aa9894b3417c25a679e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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