4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole → {3-(4-Chloro-phenyl)-3-[4-(1H-pyrazol-4-yl)-phenyl]-propyl}-methyl-amine

반응식

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

참가 물질

반응물 2

HCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

HCID 59331923[3-(4-Bromo-phenyl)-3-(4-chloro-phenyl)-propyl]methyl-amine

생성물 1

HCID 11278815{3-(4-Chloro-phenyl)-3-[4-(1H-pyrazol-4-yl)-phenyl]-propyl}-methyl-amine

출처 및 근거

ORD 기록: ord-163e7b9a0297457d8781fb691eafcb5d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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