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Potassium Cation → 2-{[4-(2-{4-[Benzoyl(methyl)amino]phenoxy}ethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid tert-butyl ester

HRID 2328013
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HRID 2328013 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([NH:25][C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[cH:23][cH:24]2)[n:15]1)=[O:34].[CH3:35][I:36].[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:42].[OH2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([N:25]([C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)=[O:33])[CH3:37])[cH:23][cH:24]2)[n:15]1)=[O:34]
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반응물 6

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 45749132-Methylpropan-2-olateHCID 597592512-[(4-{2-[4-(Benzoylamino)phenoxy]ethyl}-1,3-thiazol-2-yl)thio]-2-methylpropionic acid tert-butyl ester

생성물 1

HCID 59759390
2-{[4-(2-{4-[Benzoyl(methyl)amino]phenoxy}ethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-b1b7a5df5e3542ac85f5365d6a7c08f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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