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

HRID 298302Notes

Reaction equation

HRID 298302 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]([S:20][CH3:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[n:12][cH:13][c:14](=[O:17])[nH:15][c:16]23)[cH:18][cH:19]1>>[NH:1]([c:2]1[c:3]([S:20][CH3:21])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[n:12][cH:13][c:14](=[O:17])[nH:15][c:16]23)[cH:18][cH:19]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 469012498-(4-amino-3-(methylthio)phenoxy)pyrido[2,3-b]pyrazin-2(1H)-one

Product 1

HCID 441333641-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(2-(methylthio)-4-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

Sources & evidence

ORD record
ord-d27e129ffcd5471e81946cc8d904c80d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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