HRID1132964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

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

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

结构：CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1

HCID2734914

未命名化合物

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(Br)cc23)C1(C)C

HCID24768491

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1-c1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1

HCID67269790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e582685ac7024254b54a4bc7644e303d
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

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