HRID1228700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID98116

(3-Bromo-1-propen-1-yl)benzene

C9H9Br

HCID104967

Cesium(1+)

Cs+

2 次

结构：COCc1c(C(=O)OC(C)C)ncc2[nH]c3cccc(OCc4ccccc4)c3c12

HCID54138590

未命名化合物

PRODUCTS

生成物

结构：COCc1c(C(=O)OC(C)C)ncc2c1c1c(OCc3ccccc3)cccc1n2C(=O)C=Cc1ccccc1

HCID67595794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-addf0525cf1c4b35a7d94c69ad2a8a46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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