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

HRID 1550562Notes

Reaction equation

HRID 1550562 reaction equation
[F:23][c:24]1[c:25]([N:34]=[C:35]=[O:36])[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]1.[NH2:1][c:2]1[c:3]([S:21][CH3:22])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[nH:12][c:13](=[O:18])[c:14]([CH3:17])[n:15][c:16]23)[cH:19][cH:20]1>>[NH:1]([c:2]1[c:3]([S:21][CH3:22])[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][n:10][c:11]3[nH:12][c:13](=[O:18])[c:14]([CH3:17])[n:15][c:16]23)[cH:19][cH:20]1)[C:35]([NH:34][c:25]1[c:24]([F:23])[cH:29][cH:28][c:27]([C:30]([F:31])([F:32])[F:33])[cH:26]1)=[O:36]

Participants

3

Reactant 2

HCID 27333802-Fluoro-5-(trifluoromethyl)phenyl isocyanateHCID 469010928-(4-amino-3-(methylthio)phenoxy)-2-methylpyrido[2,3-b]pyrazin-3(4H)-one

Product 1

HCID 441330121-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(4-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)-2-(methylthio)phenyl)urea

Sources & evidence

ORD record
ord-3939887a41d44c5ea295ddc5c2d6f7fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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