HRID1228370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID67574

Benzenamine, 4-chloro-3-(trifluoromethyl)-

C7H5ClF3N

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID23088338

4-(4-Aminophenoxy)pyridine-2-carboxamide

C12H11N3O2

PRODUCTS

生成物

结构：NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1

HCID10151557

4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-2-pyridinecarboxamide

C20H14ClF3N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f016971711b5431d9a0d67a566a42af8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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