Ethyl Acetate → 1-[(2-Cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea

반응식

[CH2:31]([O:32][C:33](=[O:34])[CH3:35])[CH3:36].[CH3:16][CH:17]([CH3:18])[c:19]1[c:20]([N:28]=[C:29]=[O:30])[c:21]([CH:25]([CH3:26])[CH3:27])[cH:22][cH:23][cH:24]1.[CH:1]1([C:7]2([CH2:14][NH2:15])[O:8][CH:9]([CH3:13])[CH:10]([CH3:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1>>[CH:1]1([C:7]2([CH2:14][NH:15][C:29]([NH:28][c:20]3[c:19]([CH:17]([CH3:16])[CH3:18])[cH:24][cH:23][cH:22][c:21]3[CH:25]([CH3:26])[CH3:27])=[O:30])[O:8][CH:9]([CH3:13])[CH:10]([CH3:12])[O:11]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 922592,6-Diisopropylphenyl isocyanate

HCID 178434892HCID 178434892, 화합물

생성물 1

HCID 540656121-[(2-Cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea

출처 및 근거

ORD 기록: ord-c4ccef74c0c3423981adb33e1bd08981
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…