HRID1118240

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID25868

4-Aminobutanol

C4H11NO

HCID67523920

未命名化合物

PRODUCTS

产物

HCID24997652

1-(4-Chloro-3-trifluoromethylphenyl)-3-{4-[2-(4-hydroxy-butylamino)-pyrimidin-4-yloxy]-phenyl}-urea

C22H21ClF3N5O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7dd4b8f8edc04d049c433a1b2453d212
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][c:21]([S:25]([CH3:26])(=[O:27])=[O:28])[n:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:6][cH:7]1.[NH2:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38]>>[Cl:1][c:2]1[c:3]([C:29]([F:30])([F:31])[F:32])[cH:4][c:5]([NH:8][C:9](=[O:10])[NH:11][c:12]2[cH:13][cH:14][c:15]([O:18][c:19]3[n:20][c:21]([NH:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38])[n:22][cH:23][cH:24]3)[cH:16][cH:17]2)[cH:6][cH:7]1