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

반응식

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

참가 물질

반응물 2

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

HCID 469012508-(4-aminonaphthalen-1-yloxy)pyrido[2,3-b]pyrazin-2(1H)-one

생성물 1

HCID 441339131-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)urea

출처 및 근거

ORD 기록: ord-dcd5080ed52e4ca996bdbe60b430a94a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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