3-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole → 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-(methylthio)-4-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

HRID 172143Notes

Reaction equation

HRID 172143 reaction equation
[C:22]([CH3:23])([CH3:24])([CH3:25])[c:26]1[n:27][n:28](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:29]([N:31]=[C:32]=[O:33])[cH:30]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:32]([NH:31][c:29]1[n:28](-[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:27][c:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:30]1)=[O:33]

Participants

3

Reactant 2

HCID 110967603-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazoleHCID 469012498-(4-amino-3-(methylthio)phenoxy)pyrido[2,3-b]pyrazin-2(1H)-one

Product 1

HCID 441328521-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-(methylthio)-4-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

Sources & evidence

ORD record
ord-ed8867cc05f840e3a34a6fc1094aada3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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