Ethyl isocyanate → Methyl 4-(2-(3-ethylureido)thiazol-4-yl)benzoate

반응식

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

참가 물질

반응물 3

HCID 8022Ethyl isocyanate

HCID 13387N-methyl-2-pyrrolidone

HCID 2060012Methyl 4-(2-aminothiazol-4-yl)benzoate

생성물 1

HCID 45550873Methyl 4-(2-(3-ethylureido)thiazol-4-yl)benzoate

출처 및 근거

ORD 기록: ord-25ae63b8f49a4a278d6b70dd05bffe37
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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