HRID2337295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID45598118

5-Iodo-2-(trifluoromethyl)pyridine

C6H3F3IN

结构：CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=O

HCID57754532

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(C(F)(F)F)nc1)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=O

HCID57754665

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbf9b92773b34628b7a87aa19d5999f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][N:3]([C:4](=[O:5])[c:6]1[cH:7][n:8]([CH2:17][c:18]2[n:19][c:20]([Br:24])[cH:21][cH:22][cH:23]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]1=[O:16])[CH3:25].[CH:38]([Mg+:39])([CH3:40])[CH3:41].[Cl-:37].[I:26][c:27]1[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[n:31][cH:32]1>>[C:4](=[O:5])([c:6]1[cH:7][n:8]([CH2:17][c:18]2[n:19][c:20]([Br:24])[cH:21][cH:22][cH:23]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[c:15]1=[O:16])[c:27]1[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[n:31][cH:32]1