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

반응식

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

참가 물질

반응물 2

HCID 110967603-tert-Butyl-5-isocyanato-1-phenyl-1H-pyrazole

HCID 469010928-(4-amino-3-(methylthio)phenoxy)-2-methylpyrido[2,3-b]pyrazin-3(4H)-one

생성물 1

HCID 441328511-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-(2-methyl-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)-2-(methylthio)phenyl)urea

출처 및 근거

ORD 기록: ord-76dfdc3f6e01498290dd4a790e6f04e0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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