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Ammonium → [5-(4-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid

HRID 698243
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인쇄 미리보기

반응식

HRID 698243 반응식
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]3[cH:25][c:26]([CH3:38])[c:27]([O:30][CH2:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:28][cH:29]3)[cH:17][cH:18]2)[cH:12]1)=[O:40].[CH3:43][OH:44].[Cl-:41].[NH4+:42].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]3[cH:25][c:26]([CH3:38])[c:27]([O:30][CH2:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:28][cH:29]3)[cH:17][cH:18]2)[cH:12]1)[OH:40]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 57709040[5-(4-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

생성물 1

HCID 57709125
[5-(4-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid

출처 및 근거

ORD 기록
ord-5848f2c22db24997a89b7cd5990e5cc7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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