Tetrahydrofuran → 1-(4-Chloro-3-trifluoromethyl-phenyl)-3-[2-chloro-4-(2-methylsulfanyl-pyrimidin-4-yloxy)-phenyl]-urea

반응식

[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[Cl:15][c:16]1[c:17]([NH2:31])[cH:18][cH:19][c:20]([O:22][c:23]2[n:24][c:25]([S:29][CH3:30])[n:26][cH:27][cH:28]2)[cH:21]1.[Cl:1][c:2]1[c:3]([C:11]([F:12])([F:13])[F:14])[cH:4][c:5]([N:8]=[C:9]=[O:10])[cH:6][cH:7]1>>[Cl:1][c:2]1[c:3]([C:11]([F:12])([F:13])[F:14])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:31][c:17]2[c:16]([Cl:15])[cH:21][c:20]([O:22][c:23]3[n:24][c:25]([S:29][CH3:30])[n:26][cH:27][cH:28]3)[cH:19][cH:18]2)[cH:6][cH:7]1

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 27332651-Chloro-4-isocyanato-2-(trifluoromethyl) benzene

HCID 675239652-Chloro-4-(2-methylsulfanyl-pyrimidin-4-yloxy)-phenylamine

생성물 1

HCID 675240581-(4-Chloro-3-trifluoromethyl-phenyl)-3-[2-chloro-4-(2-methylsulfanyl-pyrimidin-4-yloxy)-phenyl]-urea

출처 및 근거

ORD 기록: ord-774cf77375ea46f4818cc532890704cb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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