HRID203221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID68263

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

C7H6N4O

HCID22385756

6-(Trifluoromethyl)pyrimidin-4-amine

C5H4F3N3

HCID46835219

4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide

C13H12FN3O2

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ncn3)c(F)c2)ccn1

HCID16214898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e4a45fc58af4f84a1fbe4daa5ea7ade
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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