n-Heptyl isocyanate → Ethyl 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-methylprop-2-enoate

반응식

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

참가 물질

반응물 2

HCID 138341n-Heptyl isocyanate

HCID 68957155Ethyl 2-methyl-3-(3'-methylaminobiphenyl-4-yl)acrylate

생성물 1

HCID 90990070Ethyl 3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-methylprop-2-enoate

출처 및 근거

ORD 기록: ord-a60c239f9f6542569118ef60ff9b8333
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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