HRID1231244

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID1485222

2-Chlorothiazole-5-carbonitrile

C4HClN2S

HCID131724818

未命名化合物

PRODUCTS

产物

HCID131724819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fd5d493ae17140e3aae6d195683e201d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[SiH2:5][O:6][C:7]([c:8]1[cH:9][c:10]([NH2:15])[n:11][c:12]([Cl:14])[cH:13]1)([CH3:16])[CH3:17].[C:26](=[O:27])([O-:28])[O-:29].[Cl:18][c:19]1[s:20][c:21]([C:24]#[N:25])[cH:22][n:23]1.[Cs+:30].[Cs+:31].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[OH2:38].[Pd:39].[Pd:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[SiH2:5][O:6][C:7]([c:8]1[cH:9][c:10]([NH:15][c:19]2[s:20][c:21]([C:24]#[N:25])[cH:22][n:23]2)[n:11][c:12]([Cl:14])[cH:13]1)([CH3:16])[CH3:17]