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Potassium Cation → 3-{4-[1-(4'-Isopropyl-2-methyl-biphenyl-4-yl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid methyl ester

HRID 1137975
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HRID 1137975 반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[c:22]2[cH:23][c:24]([CH3:29])[c:25]([Br:28])[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:30])=[O:31].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH:32]([CH3:33])([CH3:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[F-:44].[K+:45]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[c:22]2[cH:23][c:24]([CH3:29])[c:25](-[c:38]3[cH:37][cH:36][c:35]([CH:32]([CH3:33])[CH3:34])[cH:40][cH:39]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:30])=[O:31]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 813Potassium CationHCID 1140TolueneHCID 28179Fluoride IonHCID 27734804-Isopropylphenylboronic acidHCID 673419823-{4-[1-(4-Bromo-3-methyl-phenyl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid methyl ester

생성물 1

HCID 67343278
3-{4-[1-(4'-Isopropyl-2-methyl-biphenyl-4-yl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid methyl ester

출처 및 근거

ORD 기록
ord-8af885dcf58c429f9390029fc377662e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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