HRID177340

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID6897

2-Chloro-6-methylaniline

C7H8ClN

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID86646775

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Nc1nccc(-c2ccnc(Nc3c(C)cccc3Cl)c2)n1

HCID67389145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92ce3c7961ed413187ebfa5af0096141
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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