HRID100180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID79243

Quinoline, 6-bromo-

C9H6BrN

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cc(OC)c(C(C)C)cc1-c1nnc(N)n1-c1ccc2c(ccn2C)c1

HCID66986589

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(C(C)C)cc1-c1nnc(Nc2ccc3ncccc3c2)n1-c1ccc2c(ccn2C)c1

HCID66986842

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3285e8775a564355bdf865392bbe7622
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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