HRID148645

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28179

Fluoride

F-

HCID80972

Ethane, 1-bromo-2-methoxy-

C3H7BrO

HCID104967

Cesium(1+)

Cs+

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1ccc(-c3ccc[nH]c3=O)cc1-2

HCID58203820

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ncccc1-c1ccc2c(c1)-c1nc(-c3ncnn3C(C)C)sc1CCO2

HCID58204194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b3827514f9b4a1cb5fa7317783f9768
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:30][CH2:31][CH2:32][O:33][CH3:34].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][cH:21][c:20](-[c:23]3[c:24](=[O:29])[nH:25][cH:26][cH:27][cH:28]3)[cH:19]1)[O:14][CH2:13][CH2:12]2.[Cs+:36].[F-:35].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[s:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][cH:21][c:20](-[c:23]3[c:24]([O:29][CH2:31][CH2:32][O:33][CH3:34])[n:25][cH:26][cH:27][cH:28]3)[cH:19]1)[O:14][CH2:13][CH2:12]2