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Potassium Cation → Diethyl 4-{7-[4-(diethoxyphosphoryl)butyl]-3-methylxanthin-1-yl}butyl-phosphonate

HRID 1133250
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HRID 1133250 반응식
[C:38](=[O:39])([O-:40])[O-:41].[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][CH2:10][CH2:11][CH2:12][n:13]1[cH:14][n:15][c:16]2[n:17]([CH3:24])[c:18](=[O:23])[nH:19][c:20](=[O:22])[c:21]12.[Cl:25][CH2:26][CH2:27][CH2:28][CH2:29][P:30]([O:31][CH2:32][CH3:33])(=[O:34])[O:35][CH2:36][CH3:37].[K+:42].[K+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][CH2:10][CH2:11][CH2:12][n:13]1[cH:14][n:15][c:16]2[n:17]([CH3:24])[c:18](=[O:23])[n:19]([CH2:26][CH2:27][CH2:28][CH2:29][P:30]([O:31][CH2:32][CH3:33])(=[O:34])[O:35][CH2:36][CH3:37])[c:20](=[O:22])[c:21]12
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 153824337-(4-Diethylphosphonobutyl)-3-methylxanthineHCID 19689195Diethyl(4-chlorobutyl)phosphonate

생성물 1

HCID 19689280Diethyl 4-{7-[4-(diethoxyphosphoryl)butyl]-3-methylxanthin-1-yl}butyl-phosphonate

출처 및 근거

ORD 기록
ord-91adab6a5a72435a92c2e2ca26705c9b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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