Cyclopropanecarboxylic acid ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-amide → {2'-[(Cyclopropanecarbonyl-ethyl-amino)-methyl]-5,4'-bis-trifluoromethyl-biphenyl-3-yl}-acetic acid methyl ester

반응식

[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[CH:6]1[CH2:7][CH2:8]1)[CH2:9][c:10]1[c:11]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1.[CH3:29][O:30][C:31]([CH2:32][c:33]1[cH:34][c:35]([O:43][S:44]([C:45]([F:46])([F:47])[F:48])(=[O:49])=[O:50])[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)=[O:51]>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[CH:6]1[CH2:7][CH2:8]1)[CH2:9][c:10]1[c:11](-[c:35]2[cH:34][c:33]([CH2:32][C:31]([O:30][CH3:29])=[O:51])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]2)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1

참가 물질

반응물 2

HCID 66607375Cyclopropanecarboxylic acid ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-amide

HCID 86651106HCID 86651106, 화합물

생성물 1

HCID 86651129{2'-[(Cyclopropanecarbonyl-ethyl-amino)-methyl]-5,4'-bis-trifluoromethyl-biphenyl-3-yl}-acetic acid methyl ester

출처 및 근거

ORD 기록: ord-22883a3bc6d441a9b85b509cddd4ec2b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…