Benzene, 1-chloro-3-isocyanato- → 3-(3-Chloro-Phenyl)-1-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-1-methyl-urea

반응식

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

참가 물질

반응물 2

HCID 17968Benzene, 1-chloro-3-isocyanato-

HCID 66669841N4-(4-fluorophenyl)-N6-methylpyrimidine-4,6-diamine

생성물 1

HCID 577104253-(3-Chloro-Phenyl)-1-[6-(4-fluoro-phenylamino)-pyrimidin-4-yl]-1-methyl-urea

출처 및 근거

ORD 기록: ord-3529445751f74f278bab18cc1c364816
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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