Hydroxide → 3-[4-[[2-(3,5-Dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]-2-ethoxypropanoic acid

반응식

[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[c:7]([CH3:30])[cH:8][c:9]([O:12][CH2:13][c:14]2[n:15][c:16](-[c:20]3[cH:21][c:22]([O:28][CH3:29])[cH:23][c:24]([O:26][CH3:27])[cH:25]3)[o:17][c:18]2[CH3:19])[cH:10][cH:11]1)[O:31][CH2:32][CH3:33])=[O:34].[Li+:36].[OH-:35]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[c:7]([CH3:30])[cH:8][c:9]([O:12][CH2:13][c:14]2[n:15][c:16](-[c:20]3[cH:21][c:22]([O:28][CH3:29])[cH:23][c:24]([O:26][CH3:27])[cH:25]3)[o:17][c:18]2[CH3:19])[cH:10][cH:11]1)[O:31][CH2:32][CH3:33])[OH:34]

참가 물질

반응물 3

HCID 961Hydroxide

HCID 28486Lithium ion

HCID 69280727Methyl 3-[4-[[2-(3,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]-2-ethoxypropanoate

생성물 1

HCID 222738593-[4-[[2-(3,5-Dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-methylphenyl]-2-ethoxypropanoic acid

출처 및 근거

ORD 기록: ord-3494b6cf5322418bbbafe29a20eac243
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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