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Potassium Cation → 1-[(3-Cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine

HRID 283141
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HRID 283141 반응식
[C:18](=[O:19])([O-:20])[O-:21].[CH3:1][n:2]1[c:3](=[O:17])[nH:4][c:5](=[O:16])[c:6]2[n:7]([CH2:12][C:13]#[C:14][CH3:15])[c:8]([Br:11])[n:9][c:10]12.[CH3:24][N:25]1[CH2:26][CH2:27][CH2:28][C:29]1=[O:30].[Cl:31][CH2:32][c:33]1[n:34][cH:35][cH:36][cH:37][c:38]1[C:39]#[N:40].[K+:22].[K+:23].[OH2:41]>>[CH3:1][n:2]1[c:3](=[O:17])[n:4]([CH2:32][c:33]2[n:34][cH:35][cH:36][cH:37][c:38]2[C:39]#[N:40])[c:5](=[O:16])[c:6]2[n:7]([CH2:12][C:13]#[C:14][CH3:15])[c:8]([Br:11])[n:9][c:10]12
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 210889278-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1H-purine-2,6-dioneHCID 469118343-Pyridinecarbonitrile, 2-(chloromethyl)-

생성물 1

HCID 16726544

출처 및 근거

ORD 기록
ord-fa8064873058498081a70aaa3b11e428
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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1-[(3-Cyano-pyridin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine