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Acetic Acid → 1-(Ethynyl)-2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexene

HRID 2333476
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인쇄 미리보기

반응식

HRID 2333476 반응식
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][C:7]1=[C:8]([c:17]2[cH:18][c:19]([CH3:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:9][C:10]([CH3:15])([CH3:16])[CH2:11][C:12]1([CH3:13])[CH3:14].[CH3:25][C:26](=[O:27])[OH:28].[CH3:30][CH2:31][CH2:32][CH2:33][N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[F-:29]>>[CH:5]#[C:6][C:7]1=[C:8]([c:17]2[cH:18][c:19]([CH3:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:9][C:10]([CH3:15])([CH3:16])[CH2:11][C:12]1([CH3:13])[CH3:14]
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참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 197939071-((Trimethylsilyl)ethynyl)-2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethylcyclohexene

생성물 1

HCID 197938991-(Ethynyl)-2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexene

출처 및 근거

ORD 기록
ord-4cce89fa87b9451e8047d0c7797e611e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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