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Hydrochloric Acid → (4'-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid

HRID 1130331
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HRID 1130331 반응식
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]3[cH:25][c:26]([CH3:38])[c:27]([O:30][CH2:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:28][cH:29]3)[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:40].[CH3:47][OH:48].[ClH:41].[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][cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[c:24]3[cH:25][c:26]([CH3:38])[c:27]([O:30][CH2:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[cH:28][cH:29]3)[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:40]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 57709089(4'-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

생성물 1

HCID 57708918
(4'-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid

출처 및 근거

ORD 기록
ord-d515cef0646049b6a5d8bbb75d9fa187
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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