Dichloromethane → 1-(2-Fluoro-5-methylphenyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

HRID 121713

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 27333772-Fluoro-5-methylphenyl isocyanate

HCID 27346204-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

생성물 1

HCID 161251041-(2-Fluoro-5-methylphenyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea

출처 및 근거

ORD 기록: ord-68a1afa2f01a4aa082760f866f702a2d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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