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Hydrochloric Acid → {4-[3-(4-Fluoro-phenylethynyl)-5-(4-methanesulfonyl-benzyloxy)-phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid

HRID 167359
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HRID 167359 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:41])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:32]#[C:33][c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:19]2)[cH:11][cH:12]1)=[O:42].[CH3:46][CH2:47][OH:48].[ClH:45].[Na+:44].[OH-:43]>>[O:3]=[C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:41])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:32]#[C:33][c:34]3[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]3)[cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:19]2)[cH:11][cH:12]1)[OH:42]
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 67169843{4-[3-(4-Fluoro-phenylethynyl)-5-(4-methanesulfonyl-benzyloxy)-phenyl-sulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

생성물 1

HCID 16034982
{4-[3-(4-Fluoro-phenylethynyl)-5-(4-methanesulfonyl-benzyloxy)-phenylsulfanyl]-2-methyl-phenoxy}-acetic Acid

출처 및 근거

ORD 기록
ord-a800da64e834499d93e20cf21cd8aea1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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