HRID146820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID45925951

2,8-Dibromoquinoline

C9H5Br2N

HCID58369259

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccn2c(-c3ccc4cccc(Br)c4n3)cnc2c1

HCID66781563

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07c2beb350ca4cda87aacb430c692faf
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:1][c:2]1[n:3][c:4]2[c:5]([Br:12])[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1.[CH3:13][O:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][c:20]2[n:21]([cH:22][cH:23]1)[cH:24][cH:25][n:26]2.[Cl:39][CH2:40][Cl:41].[K+:27].[K+:28].[O-:120][C:121]([CH3:122])=[O:123].[O-:124][C:125]([CH3:126])=[O:127].[O-:29][C:30]([O-:31])=[O:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:128].[Pd+2:119].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1(-[c:24]2[n:21]3[c:20]([cH:19][c:18]([O:17][CH2:16][CH2:15][O:14][CH3:13])[cH:23][cH:22]3)[n:26][cH:25]2)[n:3][c:4]2[c:5]([Br:12])[cH:6][cH:7][cH:8][c:9]2[cH:10][cH:11]1