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

반응식

[C:25]([CH3:26])([CH3:27])([CH3:28])[c:29]1[n:30][n:31](-[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:32]([N:34]=[C:35]=[O:36])[cH:33]1.[NH2:1][c:2]1[c:3](=[O:24])[nH:4][c:5]2[c:6]([n:7]1)[n:8][cH:9][cH:10][c:11]2[O:12][c:13]1[cH:14][cH:15][c:16]([NH2:23])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12>>[NH2:1][c:2]1[c:3](=[O:24])[nH:4][c:5]2[c:6]([n:7]1)[n:8][cH:9][cH:10][c:11]2[O:12][c:13]1[cH:14][cH:15][c:16]([NH:23][C:35]([NH:34][c:32]2[n:31](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[n:30][c:29]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:33]2)=[O:36])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12

참가 물질

반응물 2

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

HCID 469012523-amino-8-(4-aminonaphthalen-1-yloxy)pyrido[2,3-b]pyrazin-2(1H)-one

생성물 1

HCID 469001111-(4-(3-amino-2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea

출처 및 근거

ORD 기록: ord-117acb26e00a4500b3b6f087978fbd3b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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