HRID1114648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6658

Methyl methacrylate

C5H8O2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID32885

2-Chloro-1,3-dimethylbenzene

C8H9Cl

HCID95417

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

C17H14O

3 次

HCID4060964

未命名化合物

结构：Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

HCID4608326

未命名化合物

HCID10774245

α-Cyclohexylcyclohexanemethanamine

C13H25N

PRODUCTS

生成物

HCID66772814

Methyl 3-(2,6-dimethylphenyl)-2-methylprop-2-enoate

C13H16O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2183fc02b95b4d3c9cf962e7197a3f16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:60]([PH+:61]([C:62]([CH3:63])([CH3:64])[CH3:65])[C:66]([CH3:67])([CH3:68])[CH3:69])([CH3:70])([CH3:71])[CH3:72].[CH2:129]1[O:130][CH2:131][CH2:132][O:133][CH2:134]1.[CH3:10][O:11][C:12](=[O:13])[C:14]([CH3:15])=[CH2:16].[CH:17]1([CH:18]([NH2:19])[CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1.[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][cH:6][c:7]1[CH3:8].[O:111]=[C:112]([CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1)[CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]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.[O:93]=[C:94]([CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1.[Pd:73].[Pd:74].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([B-:36]([c:37]2[cH:38][cH:39][c:40]([CH3:41])[cH:42][cH:43]2)([c:44]2[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]2)[c:51]2[cH:52][cH:53][c:54]([CH3:55])[cH:56][cH:57]2)[cH:58][cH:59]1>>[c:2]1([CH:15]=[C:14]([C:12]([O:11][CH3:10])=[O:13])[CH3:16])[c:3]([CH3:9])[cH:4][cH:5][cH:6][c:7]1[CH3:8]