HRID700924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(Br)cc3c2C)C2CCCCC2)cc1

HCID66778109

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(-c4c(C)noc4C)cc3c2C)C2CCCCC2)cc1

HCID66777644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70ea181ccabe42468410554bfea7a4fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1.[CH3:37][c:38]1[n:39][o:40][c:41]([CH3:46])[c:42]1[B:43]([OH:44])[OH:45].[CH3:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH:53]1([P:54]([CH:55]2[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2-[c:67]2[c:68]([O:69][CH3:70])[cH:71][cH:72][cH:73][c:74]2[O:75][CH3:76])[CH2:77][CH2:78][CH2:79][CH2:80][CH2:81]1.[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90]>>[c:2]1(-[c:42]2[c:38]([CH3:37])[n:39][o:40][c:41]2[CH3:46])[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:35])[c:8]([CH:10]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[NH:17][c:18]3[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]3)[o:9]2)[cH:36]1