3-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole → 1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

HRID 2142137Notes

Reaction equation

HRID 2142137 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:8]([N:10]=[C:11]=[O:12])[cH:9]1.[F:19][c:20]1[c:21]([NH2:22])[cH:23][cH:24][c:25]([O:27][c:28]2[cH:29][cH:30][n:31][c:32]3[c:33]2[n:34][cH:35][c:36]([N:38]2[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]2)[n:37]3)[cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:8]([NH:10][C:11](=[O:12])[NH:22][c:21]2[c:20]([F:19])[cH:26][c:25]([O:27][c:28]3[cH:29][cH:30][n:31][c:32]4[c:33]3[n:34][cH:35][c:36]([N:38]3[CH2:39][CH2:40][N:41]([CH3:44])[CH2:42][CH2:43]3)[n:37]4)[cH:24][cH:23]2)[cH:9]1

Participants

3

Reactant 2

HCID 110967603-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazoleHCID 469017612-Fluoro-4-(3-(4-methylpiperazin-1-yl)pyrido[3,2-b]pyrazin-8-yloxy)aniline

Product 1

HCID 441333611-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

Sources & evidence

ORD record
ord-8e87dce7b37c4653a0b2cae6be7a7937
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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