1-Butoxy-4-isocyanatobenzene → Ethyl 3-{3'-[3-(4-butoxyphenyl)-1-methylureido]biphenyl-4-yl}propanoate

반응식

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

참가 물질

반응물 2

HCID 27696291-Butoxy-4-isocyanatobenzene

HCID 67271940Ethyl 3-(3'-methylaminobiphenyl-4-yl)propanoate

생성물 1

HCID 67273394Ethyl 3-{3'-[3-(4-butoxyphenyl)-1-methylureido]biphenyl-4-yl}propanoate

출처 및 근거

ORD 기록: ord-617fcee272df4342a82d5a9ff791c5ba
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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