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Ethanol → 2-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-3-methyl-4H-imidazol-5-one

HRID 160560
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반응식

HRID 160560 반응식
[CH3:16][N:17]1[C:18]([S:23][CH3:24])=[N:19][C:20](=[O:22])[CH2:21]1.[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:10][S:11][CH2:12][CH2:13][NH2:14])[o:9]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[CH3:32][CH2:33][OH:34].[IH:15]>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:10][S:11][CH2:12][CH2:13][NH:14][C:18]2=[N:19][C:20](=[O:22])[CH2:21][N:17]2[CH3:16])[o:9]1
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반응물 5

HCID 702EthanolHCID 8471TriethylamineHCID 24841Hydrogen iodideHCID 1622035-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamineHCID 202489513-methyl-2-methylsulfanyl-4H-imidazol-5-one

생성물 1

HCID 1784832192-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-3-methyl-4H-imidazol-5-one

출처 및 근거

ORD 기록
ord-bb6f0f72a969459bbb31db669080d6c8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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