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Acetone → 4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-pyridylethynyl)cyclohexan-1-one

HRID 213764
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HRID 213764 반응식
[CH3:50][C:51](=[O:52])[CH3:53].[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:27]4[cH:28][cH:29][n:30][cH:31][cH:32]4)[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:24][CH2:23][O:22]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:54].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([O-:39])(=[O:40])=[O:41])[cH:42][cH:43]1.[nH+:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:27]4[cH:28][cH:29][n:30][cH:31][cH:32]4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1
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참가 물질

6

반응물 5

HCID 180AcetoneHCID 962WaterHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 544017964-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-pyridylethynyl)-1,1-(ethylenedioxy)cyclohexane

생성물 1

HCID 542175994-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(4-pyridylethynyl)cyclohexan-1-one

출처 및 근거

ORD 기록
ord-f00d012f8ff949948eb80bf707cea8a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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