3-(Trifluoromethyl)phenyl isocyanate → N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea

HRID 90680

반응식

HRID 90680 반응식
[F:32][c:33]1[cH:34][cH:35][c:36]([CH3:37])[cH:38][c:39]1[N:40]=[C:41]=[O:42].[N:19](=[C:20]=[O:21])[c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1.[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:20]([NH:19][c:22]1[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]1)=[O:21]

참가 물질

4

반응물 3

HCID 94833-(Trifluoromethyl)phenyl isocyanateHCID 27333772-Fluoro-5-methylphenyl isocyanateHCID 686444744-(4-Amino-phenyl)-1-methyl-1H-pyrazolo[3,4-c]pyridin-3-ylamine

생성물 1

HCID 11676233N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]urea

출처 및 근거

ORD 기록
ord-a19c08478dc34363a985e68dbdbed4fb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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