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

반응식

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

참가 물질

반응물 2

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

HCID 469010918-(4-amino-3-(methylthio)phenoxy)pyrido[3,2-b]pyrazin-3(4H)-one

생성물 1

HCID 441317101-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(2-(methylthio)-4-(3-oxo-3,4-dihydropyrido[3,2-b]pyrazin-8-yloxy)phenyl)urea

출처 및 근거

ORD 기록: ord-fbea928b0e04426db503bad0191454fc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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