HRID2324008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8868

Ethyl acetoacetate

C6H10O3

HCID105144

Palladium(2+)

Pd+2

结构：Cc1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C

HCID2734937

2-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl

C21H29P

结构：CCOC(=O)c1cc2c(Cl)ccc(-c3ccccc3C)c2[nH]1

HCID68936971

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc2c(C(C(C)=O)C(=O)OCC)ccc(-c3ccccc3C)c2[nH]1

HCID68940072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf41d557795e44818a908194305194df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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