2-Fluoro-5-methylphenyl isocyanate → N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chloro-4-fluorophenyl)urea

HRID 162417

반응식

HRID 162417 반응식
[Cl:19][c:20]1[c:21]([F:29])[cH:22][cH:23][c:24]([N:26]=[C:27]=[O:28])[cH:25]1.[F:30][c:31]1[cH:32][cH:33][c:34]([CH3:35])[cH:36][c:37]1[N:38]=[C:39]=[O:40].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:10]([cH:11][n:12][cH:13]2)[n:14]([CH3:18])[n:15][c:16]3[NH2:17])[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:10]([cH:11][n:12][cH:13]2)[n:14]([CH3:18])[n:15][c:16]3[NH2:17])[cH:6][cH:7]1)[C:27]([NH:26][c:24]1[cH:23][cH:22][c:21]([F:29])[c:20]([Cl:19])[cH:25]1)=[O:28]

참가 물질

4

반응물 3

HCID 27333772-Fluoro-5-methylphenyl isocyanateHCID 27346323-Chloro-4-fluorophenyl isocyanateHCID 686444744-(4-Amino-phenyl)-1-methyl-1H-pyrazolo[3,4-c]pyridin-3-ylamine

생성물 1

HCID 11517151N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chloro-4-fluorophenyl)urea

출처 및 근거

ORD 기록
ord-482dadc2a3c542bf8ebf52bee7a2410f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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