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

반응식

[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.[NH2:19][c:20]1[c:21]([F:39])[cH:22][c:23]([O:24][c:25]2[cH:26][cH:27][n:28][c:29]3[n:30][c:31]([CH3:36])[c:32](=[O:35])[nH:33][c:34]23)[cH:37][cH:38]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:19][c:20]2[c:21]([F:39])[cH:22][c:23]([O:24][c:25]3[cH:26][cH:27][n:28][c:29]4[n:30][c:31]([CH3:36])[c:32](=[O:35])[nH:33][c:34]34)[cH:37][cH:38]2)[cH:9]1

참가 물질

반응물 2

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

HCID 469012488-(4-Amino-3-fluorophenoxy)-3-methylpyrido[2,3-b]pyrazin-2(1H)-one

생성물 1

HCID 441335451-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-fluoro-4-(3-methyl-2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

출처 및 근거

ORD 기록: ord-daa106fe25514bd2bbc5627de5d5f137
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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