2-Fluoro-5-(trifluoromethyl)phenyl isocyanate → 1-(4-(2-Amino-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

반응식

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

참가 물질

반응물 2

HCID 27333802-Fluoro-5-(trifluoromethyl)phenyl isocyanate

HCID 469010952-amino-8-(4-aminonaphthalen-1-yloxy)pyrido[2,3-b]pyrazin-3(4H)-one

생성물 1

HCID 441340871-(4-(2-Amino-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

출처 및 근거

ORD 기록: ord-e5491ebceb2b4abfa24dc964afdd1a8a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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