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Sodium Ion → 7-[4-cyclohexyl-1-(1-hydroxyethyl)butyl]-2-(3,4-dimethoxybenzyl)-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

HRID 1563711
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인쇄 미리보기

반응식

HRID 1563711 반응식
[BH4-:36].[C:1]([CH3:2])(=[O:3])[CH:4]([CH2:5][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[c:14]1[n:15][c:16]([CH3:35])[c:17]2[c:18](=[O:34])[nH:19][c:20]([CH2:23][c:24]3[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)[n:21][n:22]12.[Na+:37]>>[CH:1]([CH3:2])([OH:3])[CH:4]([CH2:5][CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[c:14]1[n:15][c:16]([CH3:35])[c:17]2[c:18](=[O:34])[nH:19][c:20]([CH2:23][c:24]3[cH:25][c:26]([O:32][CH3:33])[c:27]([O:30][CH3:31])[cH:28][cH:29]3)[n:21][n:22]12
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반응물 3

HCID 923Sodium IonHCID 28123BorohydrideHCID 1355478897-(1-acetyl-4-cyclohexylbutyl)-2-(3,4-dimethoxybenzyl)-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

생성물 1

HCID 1358247187-[4-cyclohexyl-1-(1-hydroxyethyl)butyl]-2-(3,4-dimethoxybenzyl)-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one

출처 및 근거

ORD 기록
ord-fd60378ed2d84754b317528b4ac0bc10
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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