2-Bromophenyl isocyanate → {2'-[3-(2-Bromo-phenyl)-1-ethyl-ureidomethyl]-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl}-acetic acid methyl ester

반응식

[Br:28][c:29]1[c:30]([N:35]=[C:36]=[O:37])[cH:31][cH:32][cH:33][cH:34]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:13]2[c:14]([CH2:23][NH:24][CH2:25][CH3:26])[cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:27]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:13]2[c:14]([CH2:23][N:24]([CH2:25][CH3:26])[C:36]([NH:35][c:30]3[c:29]([Br:28])[cH:34][cH:33][cH:32][cH:31]3)=[O:37])[cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:27]

참가 물질

반응물 2

HCID 1370972-Bromophenyl isocyanate

HCID 66603748(2'-Ethylaminomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester

생성물 1

HCID 66607832{2'-[3-(2-Bromo-phenyl)-1-ethyl-ureidomethyl]-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl}-acetic acid methyl ester

출처 및 근거

ORD 기록: ord-435ef3ccc5ac4b74883d8eceb60d993c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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