HRID1565940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7947

1,3,5-Trimethylbenzene

C9H12

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID292184

2,4,6-Trimethylphenylboronic acid

C9H13BO2

HCID57831983

未命名化合物

PRODUCTS

生成物

HCID86630987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6815d6f2e15f486f8f8d6a5ac105a5fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:7]=[O:8])[cH:5][nH:6]1.[C:21](=[O:22])([O-:23])[O-:24].[C:27]([P:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]([CH3:34])([CH3:35])[CH3:36])([CH3:37])([CH3:38])[CH3:39].[CH3:9][c:10]1[c:11]([B:18]([OH:19])[OH:20])[c:12]([CH3:17])[cH:13][c:14]([CH3:16])[cH:15]1.[Cs+:25].[Cs+:26].[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[OH2:105].[Pd:49].[Pd:50].[c:40]1([CH3:41])[cH:42][c:43]([CH3:44])[cH:45][c:46]([CH3:47])[cH:48]1>>[c:2]1(-[c:11]2[c:10]([CH3:9])[cH:15][c:14]([CH3:16])[cH:13][c:12]2[CH3:17])[cH:3][c:4]([CH:7]=[O:8])[cH:5][nH:6]1