HRID108865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID67481424

未命名化合物

HCID178503022

未命名化合物

PRODUCTS

生成物

结构：CP(C)(=O)c1ccc(-c2cccn3nc(Cl)nc23)cc1

HCID67481491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b4a21fda9df4e099bda296c8c039f09
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:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([cH:11][cH:12][cH:13]2)[n:14][c:15]([Cl:17])[n:16]3)[cH:6][cH:7]1.[C:64](=[O:65])([O-:66])[O-:67].[C:70]([O-:71])(=[O:72])[CH3:73].[C:75]([O-:76])(=[O:77])[CH3:78].[CH2:79]1[O:80][CH2:81][CH2:82][O:83][CH2:84]1.[CH3:18][PH:19](=[O:20])[CH3:21].[CH3:22][C:23]1([CH3:24])[c:25]2[cH:26][cH:27][cH:28][c:29]([P:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[c:43]2[O:44][c:45]2[c:46]1[cH:47][cH:48][cH:49][c:50]2[P:51]([c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cs+:68].[Cs+:69].[Pd+2:74]>>[c:2]1([P:19]([CH3:18])(=[O:20])[CH3:21])[cH:3][cH:4][c:5](-[c:8]2[c:9]3[n:10]([cH:11][cH:12][cH:13]2)[n:14][c:15]([Cl:17])[n:16]3)[cH:6][cH:7]1