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

HRID 169876

Reaction equation

HRID 169876 reaction equation
[F:19][c:20]1[cH:21][c:22]([N:26]=[C:27]=[O:28])[cH:23][cH:24][cH:25]1.[F:29][c:30]1[cH:31][cH:32][c:33]([CH3:34])[cH:35][c:36]1[N:37]=[C:38]=[O:39].[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:22]1[cH:21][c:20]([F:19])[cH:25][cH:24][cH:23]1)=[O:28]

Participants

4

Reactant 3

HCID 1230643-Fluorophenyl isocyanateHCID 27333772-Fluoro-5-methylphenyl isocyanateHCID 686444744-(4-Amino-phenyl)-1-methyl-1H-pyrazolo[3,4-c]pyridin-3-ylamine

Product 1

HCID 11501699N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-fluorophenyl)urea

Sources & evidence

ORD record
ord-2bdb59be419745c9ba9bc0affe849d86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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