2-Fluoro-5-(trifluoromethyl)phenyl isocyanate → 1-(2-Fluoro-4-(3-(4-methylpiperazin-1-yl)pyrido[3,2-b]pyrazin-8-yloxy)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

HRID 1550461Notes

Reaction equation

HRID 1550461 reaction equation
[F:15][c:16]1[c:17]([NH2:18])[cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][cH:26][n:27][c:28]3[c:29]2[n:30][cH:31][c:32]([N:34]2[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]2)[n:33]3)[cH:22]1.[F:1][c:2]1[c:3]([N:12]=[C:13]=[O:14])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1>>[F:1][c:2]1[c:3]([NH:12][C:13](=[O:14])[NH:18][c:17]2[c:16]([F:15])[cH:22][c:21]([O:23][c:24]3[cH:25][cH:26][n:27][c:28]4[c:29]3[n:30][cH:31][c:32]([N:34]3[CH2:35][CH2:36][N:37]([CH3:40])[CH2:38][CH2:39]3)[n:33]4)[cH:20][cH:19]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 27333802-Fluoro-5-(trifluoromethyl)phenyl isocyanateHCID 469017612-Fluoro-4-(3-(4-methylpiperazin-1-yl)pyrido[3,2-b]pyrazin-8-yloxy)aniline

Product 1

HCID 441330161-(2-Fluoro-4-(3-(4-methylpiperazin-1-yl)pyrido[3,2-b]pyrazin-8-yloxy)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

Sources & evidence

ORD record
ord-bb2f6d96bf1f4e0ca333fb8ad32cc2a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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