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Acetic Acid → 1-({5-[5-(4-Isobutyl-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-yl}methyl)azetidine-3-carboxylic acid

HRID 1124545
노트
인쇄 미리보기

반응식

HRID 1124545 반응식
[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[c:6]([CH3:32])[cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:23][N:24]4[CH2:25][CH:26]([C:28](=[O:29])[O:30][CH3:31])[CH2:27]4)[n:20][c:21]3[CH3:22])[n:14][o:15]2)[cH:9][cH:10]1.[CH3:35][C:36](=[O:37])[OH:38].[Na+:34].[OH-:33].[OH:39][C:40]([C:41](=[O:42])[OH:43])=[O:44]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[c:6]([CH3:32])[cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([CH2:23][N:24]4[CH2:25][CH:26]([C:28](=[O:29])[OH:30])[CH2:27]4)[n:20][c:21]3[CH3:22])[n:14][o:15]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 176Acetic AcidHCID 923Sodium IonHCID 961HydroxideHCID 971Oxalic AcidHCID 68525220Methyl 1-({5-[5-(4-isobutyl-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-yl}methyl)azetidine-3-carboxylate

생성물 1

HCID 11978282
1-({5-[5-(4-Isobutyl-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-6-methylpyridin-2-yl}methyl)azetidine-3-carboxylic acid

출처 및 근거

ORD 기록
ord-0ee86cec3b3e4e01aa86a104c110a70c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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