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Potassium Cation → (4-{Tert-butoxycarbonyl-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-2-methyl-phenoxy)-acetic acid methyl ester

HRID 1226018
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HRID 1226018 반응식
[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:20])[cH:8][c:9]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:10][cH:11]1)=[O:21].[Cl:24][CH2:25][c:26]1[c:27]([CH3:41])[n:28][c:29](-[c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[s:30]1.[H-:43].[I-:23].[K+:49].[Na+:22].[Na+:42].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[S:44](=[O:45])(=[O:46])([OH:47])[O-:48]>>[CH3:1][O:2][C:3]([CH2:4][O:5][c:6]1[c:7]([CH3:20])[cH:8][c:9]([N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:25][c:26]2[c:27]([CH3:41])[n:28][c:29](-[c:31]3[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]3)[s:30]2)[cH:10][cH:11]1)=[O:21]
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반응물 8

HCID 813Potassium CationHCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 30165Iodide IonHCID 61778Sulfate, hydrogenHCID 166653HydrideHCID 27830065-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
HCID 67072259
HCID 67072259, 화합물

생성물 1

HCID 69218315(4-{Tert-butoxycarbonyl-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethyl]-amino}-2-methyl-phenoxy)-acetic acid methyl ester

출처 및 근거

ORD 기록
ord-407d258968e244689fa9a930940f9cc0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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