HRID183875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID11230204

4-Chloro-5-iodopyrimidine

C4H2ClIN2

结构：Nc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2Cl)c1

HCID69274446

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(-c2cccc(Nc3ncncc3I)c2)c1

HCID69047842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0832e824cef046fd9e047a2ee48b5f80
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:36](=[O:37])([O-:38])[O-:39].[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:28][c:29]1[n:30][cH:31][n:32][cH:33][c:34]1[I:35].[K+:40].[K+:41].[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[cH:11][cH:12][c:13]2[Cl:14])[cH:5][cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]([C:15](=[O:16])[NH:17][c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)[cH:11][cH:12][c:13]2[Cl:14])[cH:5][cH:6][cH:7]1)[c:29]1[n:30][cH:31][n:32][cH:33][c:34]1[I:35]