HRID94727

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID22043

Ethyl 4-bromobenzoate

C9H9BrO2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID18630801

未命名化合物

HCID22218345

未命名化合物

PRODUCTS

产物

HCID21024367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ca4fd92d18b943d89b69c41f7808e961
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:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][C:2]1=[CH:11][CH2:10][C:9]([CH3:12])([CH3:13])[c:8]2[c:3]1[cH:4][cH:5][c:6]([NH2:14])[cH:7]2.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[Cs+:31].[Cs+:32].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[OH2:86].[Pd:87].[Pd:88].[c:33]1([P:34]([c:35]2[c:36]([P:37]([c:38]3[cH:39][cH:40][cH:41][cH:42][cH:43]3)[c:44]3[cH:45][cH:46][cH:47][cH:48][cH:49]3)[c:50](-[c:51]3[c:52]4[c:53]([cH:54][cH:55][cH:56][cH:57]4)[cH:58][cH:59][cH:60]3)[c:61]3[c:62]([cH:63]2)[cH:64][cH:65][cH:66][cH:67]3)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[CH3:1][C:2]1=[CH:11][CH2:10][C:9]([CH3:12])([CH3:13])[c:8]2[c:3]1[cH:4][cH:5][c:6]([NH:14][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26]1)[cH:7]2