HRID833491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7509

Benzenemethanethiol

C7H8S

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID34681

2,6-Dibromotoluene

C7H6Br2

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

HCID66911186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dc8a6fff6e0416f8f8fff83e3e8a52f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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