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Sodium Ion → 2-[2-(5-Bromo-2-fluoro-phenyl)-3,3-difluoro-2-(2-nitro-benzenesulfonylamino)-propoxy]-2-methyl-propionic acid tert-butyl ester

HRID 1557561
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HRID 1557561 반응식
[Br:14][c:15]1[cH:16][cH:17][c:18]([F:39])[c:19]([C:21]2([CH:36]([F:37])[F:38])[N:22]([S:24](=[O:25])(=[O:26])[c:27]3[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]3)[CH2:23]2)[cH:20]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[H-:12].[Na+:13].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH:1][C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[CH3:11]>>[O:1]([C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[CH3:11])[CH2:23][C:21]([c:19]1[c:18]([F:39])[cH:17][cH:16][c:15]([Br:14])[cH:20]1)([NH:22][S:24](=[O:25])(=[O:26])[c:27]1[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]1)[CH:36]([F:37])[F:38]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 118940tert-Butyl 2-hydroxyisobutyrateHCID 166653HydrideHCID 866502672-(5-Bromo-2-fluorophenyl)-2-difluoromethyl-1-(2-nitro-benzenesulfonyl)-aziridine

생성물 1

HCID 66665802
2-[2-(5-Bromo-2-fluoro-phenyl)-3,3-difluoro-2-(2-nitro-benzenesulfonylamino)-propoxy]-2-methyl-propionic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-5a448e563ffc4aef812c4e815dfe0aa4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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