HRID184783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID7943

Dimethyl malonate

C5H8O4

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID11334366

Tert-butyl 4-bromobenzoate

C11H13BrO2

PRODUCTS

生成物

结构：COC(=O)C(C(=O)OC)c1ccc(C(=O)OC(C)(C)C)cc1

HCID57541233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4fc1ea7aa534b4293a9a35172f5b5ac
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1.[C:23]([CH2:24][C:25](=[O:26])[O:27][CH3:28])(=[O:29])[O:30][CH3:31].[CH3:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[K+:20].[K+:21].[K+:22].[O:34]=[C:35]([CH:36]=[CH:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[CH:44]=[CH:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[O:52]=[C:53]([CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1)[CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[P:15]([O-:16])([O-:17])([O-:18])=[O:19].[Pd:32].[Pd:33]>>[c:2]1([CH:24]([C:23](=[O:29])[O:30][CH3:31])[C:25](=[O:26])[O:27][CH3:28])[cH:3][cH:4][c:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[cH:13][cH:14]1