2-Fluoro-5-(trifluoromethyl)phenyl isocyanate → 1-(4-(3-Amino-2-oxo-1,2-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[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: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:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12

참가 물질

반응물 2

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

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

생성물 1

HCID 441323741-(4-(3-Amino-2-oxo-1,2-dihydropyrido[2,3-b]pyrazin-8-yloxy)naphthalen-1-yl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea

출처 및 근거

ORD 기록: ord-7cc6343ac0d240dbab844a59c6d65159
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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