Ethyl 3-((3-(5-(benzylcarbamoyl)-4-methylthiazol-2-yl)-2-oxoimidazolidin-1-yl)methyl)benzoate → 2-(3-(4-Fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylic acid

반응식

[CH2:1]([NH:2][C:3]([c:4]1[s:5][c:6]([N:7]2[CH2:8][CH2:9][N:10]([CH2:11][c:12]3[cH:13][c:14]([C:18]([O:19][CH2:20][CH3:21])=[O:22])[cH:15][cH:16][cH:17]3)[C:23]2=[O:24])[n:25][c:26]1[CH3:27])=[O:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[F:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][N:41]2[C:42](=[O:60])[N:43]([c:46]3[s:47][c:48]([C:55](=[O:56])[O:57][CH2:58][CH3:59])[c:49]([C:51]([F:52])([F:53])[F:54])[n:50]3)[CH2:44][CH2:45]2)[cH:61][cH:62]1>>[F:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][N:41]2[C:42](=[O:60])[N:43]([c:46]3[s:47][c:48]([C:55](=[O:56])[OH:57])[c:49]([C:51]([F:52])([F:53])[F:54])[n:50]3)[CH2:44][CH2:45]2)[cH:61][cH:62]1

참가 물질

반응물 2

HCID 59481231Ethyl 3-((3-(5-(benzylcarbamoyl)-4-methylthiazol-2-yl)-2-oxoimidazolidin-1-yl)methyl)benzoate

HCID 59481310Ethyl 2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylate

생성물 1

HCID 594812062-(3-(4-Fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylic acid

출처 및 근거

ORD 기록: ord-c1c667c1d30241fe81711f90ab591242
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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