Ethanol → N3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-yl]-4-methyl-benzene-1,3-diamine

반응식

[CH3:28][CH2:29][OH:30].[NH2:1][c:2]1[cH:3][c:4](-[n:8]2[c:9]([NH:17][c:18]3[c:19]([CH3:27])[cH:20][cH:21][c:22]([N+:24]([O-:25])=[O:26])[cH:23]3)[n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:5][cH:6][n:7]1.[Pd:31]>>[NH2:1][c:2]1[cH:3][c:4](-[n:8]2[c:9]([NH:17][c:18]3[c:19]([CH3:27])[cH:20][cH:21][c:22]([NH2:24])[cH:23]3)[n:10][c:11]3[c:12]2[cH:13][cH:14][cH:15][cH:16]3)[n:5][cH:6][n:7]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 23938Palladium

HCID 15949047[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-yl]-(2-methyl-5-nitro-phenyl)-amine

생성물 1

HCID 15948950N3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-yl]-4-methyl-benzene-1,3-diamine

출처 및 근거

ORD 기록: ord-d326fffdb40b46039c3e658a282fa3d0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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