HRID163239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID1318

1,10-Phenanthroline

C12H8N2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)ccc3N3CCOCC3)CC2)c(F)c1

HCID44580513

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(N2CCN(C(=O)c3cc(-n4ccnc4)ccc3N3CCOCC3)CC2)c(F)c1

HCID59793696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca57f247be654dfdb1c46219099fe244
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:24])[cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:25]1.[C:37](=[O:38])([O-:39])[O-:40].[Cs+:41].[Cs+:42].[Cu:57][I:58].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[cH:43]1[cH:44][c:45]2[cH:46][cH:47][c:48]3[c:49]([c:50]2[n:51][cH:52]1)[n:53][cH:54][cH:55][cH:56]3.[nH:32]1[cH:33][n:34][cH:35][cH:36]1>>[c:2]1(-[n:32]2[cH:33][n:34][cH:35][cH:36]2)[cH:3][cH:4][c:5]([N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:6]([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([c:15]3[c:16]([F:24])[cH:17][c:18]([C:21]([CH3:22])=[O:23])[cH:19][cH:20]3)[CH2:13][CH2:14]2)[cH:25]1