Tert-Butyl nitrite → 5-[3,5-Bis(trifluoromethyl)phenyl]-3-[(2-bromo-5-methylsulfanylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

반응식

[CH3:38][S:39][S:40][CH3:41].[N:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37].[NH2:1][c:2]1[cH:3][cH:4][c:5]([Br:30])[c:6]([CH2:7][N:8]2[C:9](=[O:28])[O:10][CH:11]([c:14]3[cH:15][c:16]([C:24]([F:25])([F:26])[F:27])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]3)[CH:12]2[CH3:13])[cH:29]1>>[c:2]1([S:39][CH3:38])[cH:3][cH:4][c:5]([Br:30])[c:6]([CH2:7][N:8]2[C:9](=[O:28])[O:10][CH:11]([c:14]3[cH:15][c:16]([C:24]([F:25])([F:26])[F:27])[cH:17][c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]3)[CH:12]2[CH3:13])[cH:29]1

참가 물질

반응물 3

HCID 10906Tert-Butyl nitrite

HCID 12232Dimethyl Disulfide

HCID 72525984HCID 72525984, 화합물

생성물 1

HCID 725259885-[3,5-Bis(trifluoromethyl)phenyl]-3-[(2-bromo-5-methylsulfanylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

출처 및 근거

ORD 기록: ord-4aef40791bf049a08e0402dfff7fab9e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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