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

반응식

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

참가 물질

반응물 2

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

HCID 468999468-(3-aminophenoxy)pyrido[2,3-b]pyrazin-2(1H)-one

생성물 1

HCID 441339101-(2-Fluoro-5-(trifluoromethyl)phenyl)-3-(3-(2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)phenyl)urea

출처 및 근거

ORD 기록: ord-336f109dc86f4d97956c9925116ddcd1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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