2-Fluoro-5-(trifluoromethyl)phenyl isocyanate → 1-(2-Fluoro-4-(3-methyl-2-oxo-1,2-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

HRID 1150557Notes

Reaction equation

HRID 1150557 reaction equation
[F:22][c:23]1[c:24]([N:33]=[C:34]=[O:35])[cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]1.[NH2:1][c:2]1[c:3]([F:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[nH:13][c:14](=[O:18])[c:15]([CH3:17])[n:16]3)[cH:19][cH:20]1>>[NH:1]([c:2]1[c:3]([F:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[c:12]2[nH:13][c:14](=[O:18])[c:15]([CH3:17])[n:16]3)[cH:19][cH:20]1)[C:34]([NH:33][c:24]1[c:23]([F:22])[cH:28][cH:27][c:26]([C:29]([F:30])([F:31])[F:32])[cH:25]1)=[O:35]

Participants

3

Reactant 2

HCID 27333802-Fluoro-5-(trifluoromethyl)phenyl isocyanateHCID 469012488-(4-Amino-3-fluorophenoxy)-3-methylpyrido[2,3-b]pyrazin-2(1H)-one

Product 1

HCID 468999481-(2-Fluoro-4-(3-methyl-2-oxo-1,2-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

Sources & evidence

ORD record
ord-77435d2b270a43b9a47585498369f386
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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