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Methanol → 4-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-4-hydroxybutanoic acid

HRID 671924
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인쇄 미리보기

반응식

HRID 671924 반응식
[BH4-:35].[CH3:37][OH:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:15][CH2:16][C:17](=[O:18])[N:19]2[CH:20]([CH3:34])[CH2:21][N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH:23]([CH3:25])[CH2:24]2)[c:6]([C:8]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])=[O:14])[cH:7]1.[Na+:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:15][CH2:16][C:17](=[O:18])[N:19]2[CH:20]([CH3:34])[CH2:21][N:22]([CH2:26][c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH:23]([CH3:25])[CH2:24]2)[c:6]([CH:8]([CH2:9][CH2:10][C:11](=[O:12])[OH:13])[OH:14])[cH:7]1
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참가 물질

5

반응물 4

HCID 887MethanolHCID 923Sodium IonHCID 28123BorohydrideHCID 117553494-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-4-oxobutanoic acid

생성물 1

HCID 99831504-[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-4-hydroxybutanoic acid

출처 및 근거

ORD 기록
ord-4dbc33dbc01e42f9b23d93c75825aa31
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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