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Sodium Ion → 2-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid

HRID 668732
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반응식

HRID 668732 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:26][I:27].[H-:24].[Na+:25].[OH2:28]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1)[CH3:26]
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 27568322-(((Tert-butoxy)carbonyl)amino)-3-(4-(trifluoromethyl)phenyl)propanoic acid

생성물 1

HCID 722721732-[Methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid

출처 및 근거

ORD 기록
ord-1e4bdbba04c946108de42b3efe8898d3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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