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Acetone → (1,3-Dimethyl-2,6-dioxopurin-7-yl)methyl 2-(dimethylamino)acetate

HRID 2311978
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HRID 2311978 반응식
[CH3:16][N:17]([CH3:18])[CH2:19][C:20]([OH:21])=[O:22].[CH3:44][C:45](=[O:46])[CH3:47].[CH:23]1([N:24]=[C:25]=[N:26][CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1.[OH:1][CH2:2][n:3]1[cH:4][n:5][c:6]2[n:7]([CH3:15])[c:8](=[O:14])[n:9]([CH3:10])[c:11](=[O:13])[c:12]12.[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[O:1]([CH2:2][n:3]1[cH:4][n:5][c:6]2[n:7]([CH3:15])[c:8](=[O:14])[n:9]([CH3:10])[c:11](=[O:13])[c:12]12)[C:20]([CH2:19][N:17]([CH3:16])[CH3:18])=[O:21]
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6

반응물 5

HCID 180AcetoneHCID 673N,N-DimethylglycineHCID 1049PyridineHCID 10868DicyclohexylcarbodiimideHCID 641347-Hydroxymethyl theophylline

생성물 1

HCID 23455158(1,3-Dimethyl-2,6-dioxopurin-7-yl)methyl 2-(dimethylamino)acetate

출처 및 근거

ORD 기록
ord-90a6ea5cff1848358ee4909c02c4257a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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