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Hydrochloric Acid → 3-{4-[1-(4'-Isopropyl-2-methyl-biphenyl-4-yl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid

HRID 1543050
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반응식

HRID 1543050 반응식
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[c:22]2[cH:23][c:24]([CH3:37])[c:25](-[c:28]3[cH:29][cH:30][c:31]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:33]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:38])=[O:39].[ClH:42].[Na+:41].[OH-:40]>>[O:2]=[C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([O:14][CH:15]([CH2:16][CH2:17][CH2:18][CH:19]([CH3:20])[CH3:21])[c:22]2[cH:23][c:24]([CH3:37])[c:25](-[c:28]3[cH:29][cH:30][c:31]([CH:34]([CH3:35])[CH3:36])[cH:32][cH:33]3)[cH:26][cH:27]2)[cH:12][cH:13]1)=[O:38])[OH:39]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 673432783-{4-[1-(4'-Isopropyl-2-methyl-biphenyl-4-yl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid methyl ester

생성물 1

HCID 597293793-{4-[1-(4'-Isopropyl-2-methyl-biphenyl-4-yl)-5-methyl-hexyloxy]-benzoylamino}-propionic acid

출처 및 근거

ORD 기록
ord-c185410f8f6d41888217f31d3eebb2c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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