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Methanol → 2-[2-[4-[3-[4-(3-Ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]pyrimidin-5-yl]acetic acid

HRID 2336936
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인쇄 미리보기

반응식

HRID 2336936 반응식
[CH2:3]([CH3:4])[O:5][C:6]([CH2:7][c:8]1[cH:9][n:10][c:11](-[c:14]2[c:15]([CH3:40])[cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH:29]=[CH:30][C:31]([CH2:32][CH3:33])([OH:34])[CH2:35][CH3:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[n:12][cH:13]1)=[O:41].[CH3:42][OH:43].[Na+:2].[OH-:1]>>[O:5]=[C:6]([CH2:7][c:8]1[cH:9][n:10][c:11](-[c:14]2[c:15]([CH3:40])[cH:16][c:17]([C:20]([CH2:21][CH3:22])([c:23]3[cH:24][c:25]([CH3:37])[c:26]([CH:29]=[CH:30][C:31]([CH2:32][CH3:33])([OH:34])[CH2:35][CH3:36])[cH:27][cH:28]3)[CH2:38][CH3:39])[cH:18][cH:19]2)[n:12][cH:13]1)[OH:41]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 67065163Ethyl 2-[2-[4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]pyrimidin-5-yl]acetate

생성물 1

HCID 670650882-[2-[4-[3-[4-(3-Ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]pyrimidin-5-yl]acetic acid

출처 및 근거

ORD 기록
ord-547cff3bea984419ab902eca2e61e614
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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