1-Bromo-4-(trifluoromethoxy)benzene → 1-(2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-[4-(trifluoromethoxy)phenyl]piperazine

반응식

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

참가 물질

반응물 2

HCID 5210081-Bromo-4-(trifluoromethoxy)benzene

HCID 667597311-(2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

생성물 1

HCID 594850871-(2,2,4,6,7-Pentamethyl-2,3-dihydro-1-benzofuran-5-yl)-4-[4-(trifluoromethoxy)phenyl]piperazine

출처 및 근거

ORD 기록: ord-9578eebf4fed44fdb124ee561dbdf486
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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