Tetrahydrofuran → Benzyl [2-(3,5-bis(trifluoromethyl)phenyl)-1-methyl-2-oxo-ethyl]carbamate

반응식

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

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 676021-Bromo-3,5-bis(trifluoromethyl)benzene

HCID 375610Benzyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate

생성물 1

HCID 58088666Benzyl [2-(3,5-bis(trifluoromethyl)phenyl)-1-methyl-2-oxo-ethyl]carbamate

출처 및 근거

ORD 기록: ord-7e6a238f55524915a8e87f81ff5dfd27
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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