1-Chloro-4-isocyanato-2-(trifluoromethyl) benzene → 1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2-(methylthio)-4-(3-oxo-3,4-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)urea

HRID 1544657Notes

Reaction equation

HRID 1544657 reaction equation
[Cl:22][c:23]1[c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]([N:29]=[C:30]=[O:31])[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[c:12]2[n:13][cH:14][c:15](=[O:17])[nH:16]3)[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[c:12]2[n:13][cH:14][c:15](=[O:17])[nH:16]3)[cH:18][cH:19]1)[C:30]([NH:29][c:26]1[cH:25][c:24]([C:32]([F:33])([F:34])[F:35])[c:23]([Cl:22])[cH:28][cH:27]1)=[O:31]

Participants

3

Reactant 2

HCID 27332651-Chloro-4-isocyanato-2-(trifluoromethyl) benzeneHCID 469010918-(4-amino-3-(methylthio)phenoxy)pyrido[3,2-b]pyrazin-3(4H)-one

Product 1

HCID 441315271-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(2-(methylthio)-4-(3-oxo-3,4-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)urea

Sources & evidence

ORD record
ord-dd61296194384c9da80de9f18f40d858
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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