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o-Xylyl bromide → 2,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid

HRID 144267
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HRID 144267 반응식
[Br:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][c:43]1[CH3:44].[CH2:45]([O:46][C:47](=[O:48])[C:49]([CH3:50])([CH3:51])[CH2:52][S:53][c:54]1[s:55][c:56]([NH2:57])[n:58][cH:59]1)[CH3:60].[Cl:1][c:2]1[c:3]([CH2:4][O:5][CH2:6][CH2:7][N:8]([C:9]([NH:10][c:11]2[s:12][c:13]([S:16][CH2:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:14][n:15]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33][cH:34][cH:35]1>>[c:2]1([CH3:37])[c:3]([CH2:4][O:5][CH2:6][CH2:7][N:8]([C:9]([NH:10][c:11]2[s:12][c:13]([S:16][CH2:17][C:18]([C:19](=[O:20])[OH:21])([CH3:22])[CH3:23])[cH:14][n:15]2)=[O:24])[CH:25]2[CH2:26][CH2:27][CH:28]([CH3:31])[CH2:29][CH2:30]2)[cH:32][cH:33][cH:34][cH:35]1
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반응물 3

HCID 6992o-Xylyl bromideHCID 249871013-{2-[3-[2-(2-Chloro-benzyloxy)-ethyl]-3-(trans-4-methylcyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-2,2-dimethyl-propionic acidHCID 574814293-(2-Amino-thiazol-5-ylsulfanyl)-2,2-dimethyl-propionic acid ethyl ester

생성물 1

HCID 249893082,2-Dimethyl-3-{2-[3-[2-(2-methyl-benzyloxy)-ethyl]-3-(trans-4-methyl-cyclohexyl)ureido]-thiazol-5-ylsulfanyl}-propionic acid

출처 및 근거

ORD 기록
ord-45e21241a34948ba9a122614ecdd31cf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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