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Ethyl 4-chloroacetoacetate → {4-Methyl-6-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-benzo[b]thiophen-3-yl}-acetic acid

HRID 701472
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인쇄 미리보기

반응식

HRID 701472 반응식
[CH2:11]([O:12][C:13](=[O:14])[CH2:15][C:16](=[O:17])[CH2:18][Cl:19])[CH3:20].[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][c:26]1[c:27]2[c:28]([s:29][cH:30]1)[cH:31][c:32]([O:36][CH2:37][c:38]1[c:39]([CH3:53])[n:40][c:41](-[c:43]3[cH:44][cH:45][c:46]([C:49]([F:50])([F:51])[F:52])[cH:47][cH:48]3)[s:42]1)[cH:33][c:34]2[CH3:35])=[O:54].[CH3:1][O:2][c:3]1[cH:4][c:5]([SH:6])[cH:7][c:8]([CH3:9])[cH:10]1>>[O:23]=[C:24]([CH2:25][c:26]1[c:27]2[c:28]([s:29][cH:30]1)[cH:31][c:32]([O:36][CH2:37][c:38]1[c:39]([CH3:53])[n:40][c:41](-[c:43]3[cH:44][cH:45][c:46]([C:49]([F:50])([F:51])[F:52])[cH:47][cH:48]3)[s:42]1)[cH:33][c:34]2[CH3:35])[OH:54]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 69484Ethyl 4-chloroacetoacetateHCID 20770770{4-Methyl-6-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-benzo[b]thiophen-3-yl}-acetic acid ethyl esterHCID 225047193-Methoxy-5-methylbenzenethiol

생성물 1

HCID 22504735{4-Methyl-6-[4-methyl-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-benzo[b]thiophen-3-yl}-acetic acid

출처 및 근거

ORD 기록
ord-a230f4ae70bc4f748610311f56c043c9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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