HRID112339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID12081

Benzoic acid, 4-bromo-, methyl ester

C8H7BrO2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID533866

2-Isopropoxyethylamine

C5H13NO

PRODUCTS

生成物

HCID67140545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7be61c8159db474b8e3ddcb5583b1f9d
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:7][c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:32][CH2:33][O:34][CH2:35][CH3:36].[CH:18]([CH3:19])([CH3:20])[O:21][CH2:22][CH2:23][NH2:24].[Cs+:5].[Cs+:6].[O:39]=[C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Pd:37].[Pd:38]>>[c:8]1([NH:24][CH2:23][CH2:22][O:21][CH:18]([CH3:19])[CH3:20])[cH:9][cH:10][c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1