Benzonitrile, 4-bromo- → 4-[4-(2,4,6,7-Tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]benzonitrile

반응식

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

참가 물질

반응물 2

HCID 12162Benzonitrile, 4-bromo-

HCID 667598101-(2,4,6,7-Tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

생성물 1

HCID 594850044-[4-(2,4,6,7-Tetramethyl-2,3-dihydro-1-benzofuran-5-yl)piperazin-1-yl]benzonitrile

출처 및 근거

ORD 기록: ord-99b198622aca4ebd9ff80c03cf2ca658
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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