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Acetonitrile → Ethyl 2-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

HRID 318544
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HRID 318544 반응식
[Br:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31].[C:19](=[O:20])([O-:21])[O-:22].[CH3:32][C:33]#[N:34].[Cs+:23].[Cs+:24].[F:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][OH:10])[NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][O:10][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[NH:11][C:12]([O:13][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:18])[cH:5][cH:6][cH:7]1
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6

반응물 5

HCID 6342AcetonitrileHCID 7748Ethyl bromoacetateHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 71227575tert-Butyl (1-(3-fluorophenyl)-2-hydroxyethyl)carbamate

생성물 1

HCID 77941942Ethyl 2-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]acetate

출처 및 근거

ORD 기록
ord-c564e0eb03124767b2dc9b03a6157698
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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