Acetonitrile → 4-Bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbonitrile

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 67184N-bromobutanimide

HCID 112795222-(4-Isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbonitrile

생성물 1

HCID 113848354-Bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbonitrile

출처 및 근거

ORD 기록: ord-5026cc382c4c45eb92cbeee796b6103d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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