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Methanol → [5-(4-{1-ethyl-1-[4-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid

HRID 2335768
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반응식

HRID 2335768 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]([CH3:40])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:37])[c:25]([C:28]#[C:29][C:30]4([OH:36])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[cH:26][cH:27]3)[CH2:38][CH3:39])[cH:17][cH:18]2)[cH:12]1)=[O:41].[CH3:47][OH:48].[Na+:2].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][n:9][cH:10][c:11](-[c:13]2[c:14]([CH3:40])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:37])[c:25]([C:28]#[C:29][C:30]4([OH:36])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[cH:26][cH:27]3)[CH2:38][CH3:39])[cH:17][cH:18]2)[cH:12]1)[OH:41]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 57708985[5-(4-{1-ethyl-1-[4-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

생성물 1

HCID 57709186
[5-(4-{1-ethyl-1-[4-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-3-methyl-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid

출처 및 근거

ORD 기록
ord-5abc00481dec4ee7975cd664d5eb36ac
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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