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

반응식

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

참가 물질

반응물 2

HCID 179878553-tert-Butyl-5-isocyanato-1-p-tolyl-1H-pyrazole

HCID 469015948-(3-aminophenoxy)-2-methylpyrido[2,3-b]pyrazin-3(4H)-one

생성물 1

HCID 469004271-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(3-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

출처 및 근거

ORD 기록: ord-fa47cc229d94434d963d98c2119450d5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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