Diisopropyl Ether → Diethyl [4-(1-methoxyethyl-3-methylxanthin-7-yl)butyl]phosphonate

반응식

[CH3:1][O:2][CH:3]([CH3:4])[n:5]1[c:6](=[O:7])[n:8]([CH3:16])[c:9]2[n:10][cH:11][nH:12][c:13]2[c:14]1=[O:15].[CH:30]([O:31][CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:17][CH2:18][CH2:19][CH2:20][CH2:21][P:22]([O:23][CH2:24][CH3:25])(=[O:26])[O:27][CH2:28][CH3:29]>>[CH3:1][O:2][CH:3]([CH3:4])[n:5]1[c:6](=[O:7])[n:8]([CH3:16])[c:9]2[n:10][cH:11][n:12]([CH2:18][CH2:19][CH2:20][CH2:21][P:22]([O:23][CH2:24][CH3:25])(=[O:26])[O:27][CH2:28][CH3:29])[c:13]2[c:14]1=[O:15]

참가 물질

반응물 3

HCID 7914Diisopropyl Ether

HCID 19689195Diethyl(4-chlorobutyl)phosphonate

HCID 196892351-Methoxyethyl-3-methylxanthine

생성물 1

HCID 86752272Diethyl [4-(1-methoxyethyl-3-methylxanthin-7-yl)butyl]phosphonate

출처 및 근거

ORD 기록: ord-b401689ae3b8434d9c85eecef6ecd7de
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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