HRID2143587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID21943338

2-(Bromomethyl)-4'-chloro-4-methoxy-1,1'-biphenyl

C14H12BrClO

结构：N#Cc1ccc2c(c1)nc(-c1ccc(O)cc1)n2C1CCCCC1

HCID135674091

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C#N)ccc4n3C3CCCCC3)cc2)c1

HCID22660777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34ff152806404d0886924e26501a2276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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