2-Chloroethyl isocyanate → Ethyl 2-(2-oxoimidazolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylate

반응식

[Cl:28][CH2:29][CH2:30][N:31]=[C:32]=[O:33].[NH2:13][c:14]1[s:15][c:16]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:17]([C:19]([F:20])([F:21])[F:22])[n:18]1.[NH2:1][c:2]1[s:3][c:4]([C:5]([O:6][CH2:7][CH3:8])=[O:9])[c:10]([CH3:11])[n:12]1>>[N:13]1([c:14]2[s:15][c:16]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:17]([C:19]([F:20])([F:21])[F:22])[n:18]2)[CH2:29][CH2:30][NH:31][C:32]1=[O:33]

참가 물질

반응물 3

HCID 160352-Chloroethyl isocyanate

HCID 676565-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester

HCID 343747Ethyl 2-amino-4-methylthiazole-5-carboxylate

생성물 1

HCID 59481234Ethyl 2-(2-oxoimidazolidin-1-yl)-4-(trifluoromethyl)thiazole-5-carboxylate

출처 및 근거

ORD 기록: ord-4a3c69784de94df281fa167c9ca68010
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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