Sodium ion → 3-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid

HRID 143970

반응식

HRID 143970 반응식
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:29])[cH:8][c:9]([O:12][CH2:13][c:14]2[s:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[cH:17][cH:18]2)[cH:10][cH:11]1)=[O:30].[Na+:32].[OH-:31]>>[O:2]=[C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:29])[cH:8][c:9]([O:12][CH2:13][c:14]2[s:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[cH:17][cH:18]2)[cH:10][cH:11]1)[OH:30]

참가 물질

4

반응물 3

HCID 923Sodium ionHCID 961HydroxideHCID 688530103-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid methyl ester

생성물 1

HCID 98450353-{2-Methyl-4-[5-(4-trifluoromethyl-phenyl)-thiophen-2-ylmethoxy]-phenyl}-propionic acid

출처 및 근거

ORD 기록
ord-f0f4b718a28b42059c4ce23208876e93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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