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Chloride → ethyl (2RS,3RS)-3-(3-chlorophenyl)-3-hydroxy-2-[4-(2,2,3,3,3-pentafluoropropyl)benzyl]propionate

HRID 111213
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HRID 111213 반응식
[BH4-:1].[Cl-:33].[Cl-:35].[Cl:3][c:4]1[cH:5][c:6]([C:10]([CH:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][C:25]([C:26]([F:27])([F:28])[F:29])([F:30])[F:31])[cH:22][cH:23]2)=[O:32])[cH:7][cH:8][cH:9]1.[Na+:2].[Zn+2:34]>>[Cl:3][c:4]1[cH:5][c:6]([CH:10]([CH:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[CH2:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][C:25]([C:26]([F:27])([F:28])[F:29])([F:30])[F:31])[cH:22][cH:23]2)[OH:32])[cH:7][cH:8][cH:9]1
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HCID 312Chloride2회HCID 923Sodium IonHCID 28123BorohydrideHCID 32051Zinc(2+)HCID 22262239Ethyl 3-(3-chlorophenyl)-3-oxo-2-[4-(2,2,3,3,3-pentafluoropropyl)benzyl]propionate

생성물 1

HCID 86593311ethyl (2RS,3RS)-3-(3-chlorophenyl)-3-hydroxy-2-[4-(2,2,3,3,3-pentafluoropropyl)benzyl]propionate

출처 및 근거

ORD 기록
ord-782fc9d7724842978e6b34ac475c7354
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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