HRID805473

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

HCID7761

Diethyl propanedioate

C7H12O4

HCID31275

1,4-Dioxane

C4H8O2

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：CC1CN(Cc2ccc(Br)cc2)CCN1C(=O)OCc1ccccc1

HCID178430237

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)c1ccc(CN2CCN(C(=O)OCc3ccccc3)C(C)C2)cc1

HCID178472259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a49c1ad1a524325ae1dcf3197926760
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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