HRID1118040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID66875805

未命名化合物

HCID67159315

未命名化合物

PRODUCTS

产物

HCID44242970

1-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]-3-{3-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yloxy]phenyl}urea

C29H24F4N6O5

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-83c84f120f3d459ba8f9b9b74cf4bfe6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:27][O:28][c:29]1[cH:30][c:31]2[c:32]([O:44][c:45]3[cH:46][c:47]([NH2:48])[cH:49][cH:50][cH:51]3)[n:33][cH:34][n:35][c:36]2[cH:37][c:38]1[O:39][CH2:40][CH2:41][O:42][CH3:43].[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:23]([F:24])([F:25])[F:26])[cH:11][c:12]2[NH:13][C:14]([O:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[O:22])[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][c:10]([C:23]([F:24])([F:25])[F:26])[cH:11][c:12]2[NH:13][C:14](=[O:22])[NH:48][c:47]2[cH:46][c:45]([O:44][c:32]3[c:31]4[cH:30][c:29]([O:28][CH3:27])[c:38]([O:39][CH2:40][CH2:41][O:42][CH3:43])[cH:37][c:36]4[n:35][cH:34][n:33]3)[cH:51][cH:50][cH:49]2)[cH:6][cH:7]1