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Ethanol → 2-(1,3-dihydrobenzimidazol-2-ylidene)-1-[3-(1,3-dihydroxybutyl)phenyl]-3-(3-fluorophenyl)propane-1,3-dione

HRID 678456
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인쇄 미리보기

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HRID 678456 반응식
[BH4-:34].[CH3:36][CH2:37][OH:38].[NH:1]1[C:2](=[C:10]([C:11](=[O:12])[c:13]2[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]2)[C:20](=[O:21])[c:22]2[cH:23][c:24]([CH:28]([CH2:29][C:30]([CH3:31])=[O:32])[OH:33])[cH:25][cH:26][cH:27]2)[NH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2.[Na+:35]>>[NH:1]1[C:2](=[C:10]([C:11](=[O:12])[c:13]2[cH:14][c:15]([F:19])[cH:16][cH:17][cH:18]2)[C:20](=[O:21])[c:22]2[cH:23][c:24]([CH:28]([CH2:29][CH:30]([CH3:31])[OH:32])[OH:33])[cH:25][cH:26][cH:27]2)[NH:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
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참가 물질

5

반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 28123BorohydrideHCID 178467978HCID 178467978, 화합물

생성물 1

HCID 1784679792-(1,3-dihydrobenzimidazol-2-ylidene)-1-[3-(1,3-dihydroxybutyl)phenyl]-3-(3-fluorophenyl)propane-1,3-dione

출처 및 근거

ORD 기록
ord-ff54affb155d45089056051fe3e43782
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D
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