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Hydrochloric Acid → (4'-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid

HRID 695383
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HRID 695383 반응식
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:43])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:40])[c:25]([C:28]#[C:29][C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:26][cH:27]3)[CH2:41][CH3:42])[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:44].[CH3:51][OH:52].[ClH:45].[Na+:2].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:43])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:40])[c:25]([C:28]#[C:29][C:30]([C:31]([F:32])([F:33])[F:34])([C:35]([F:36])([F:37])[F:38])[OH:39])[cH:26][cH:27]3)[CH2:41][CH3:42])[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:44]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 57709077(4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

생성물 1

HCID 15941842
(4'-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid

출처 및 근거

ORD 기록
ord-31a275ff3197461898f014c1131e1684
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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