1,2-Dimethoxyethane → 3-Butyl-3-ethyl-5-phenyl-2,3-dihydrobenzothiepine

반응식

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:9]1[c:10]([S:15][CH2:16][C:17]([CH:18]=[O:8])([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH3:25])[cH:11][cH:12][cH:13][cH:14]1)=[O:19].[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[Zn:32]>>[C:1]1([c:2]2[cH:3][cH:4][cH:5][cH:6][cH:7]2)=[CH:18][C:17]([CH2:20][CH2:21][CH2:22][CH3:23])([CH2:24][CH3:25])[CH2:16][S:15][c:10]2[c:9]1[cH:14][cH:13][cH:12][cH:11]2

참가 물질

반응물 3

HCID 80711,2-Dimethoxyethane

HCID 23994Zinc

HCID 116028262-((2-Benzoylphenylthio)methyl)-2-ethylhexanal

생성물 1

HCID 223252133-Butyl-3-ethyl-5-phenyl-2,3-dihydrobenzothiepine

출처 및 근거

ORD 기록: ord-b5f8cb544a6048fda66bf30d435d7b1b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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