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Ethanol → 2-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid

HRID 681052
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반응식

HRID 681052 반응식
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][CH:16]2[N:17]([CH3:33])[C:18](=[O:32])[N:19]([CH2:21][c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[CH2:20]2)[cH:11][cH:12]1)([CH3:34])[O:35][CH2:36][CH2:37][CH2:38][CH3:39])=[O:40].[CH3:43][CH2:44][OH:45].[Na+:42].[OH-:41]>>[O:3]=[C:4]([C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][CH:16]2[N:17]([CH3:33])[C:18](=[O:32])[N:19]([CH2:21][c:22]3[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]3)[CH2:20]2)[cH:11][cH:12]1)([CH3:34])[O:35][CH2:36][CH2:37][CH2:38][CH3:39])[OH:40]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 688684932-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid ethyl ester

생성물 1

HCID 102181972-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid

출처 및 근거

ORD 기록
ord-e9041154274a45668623b92f34c76672
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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