HRID2155290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID104967

Cesium(1+)

Cs+

2 次

HCID22461276

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CC(=O)c2c(-c3ccc(Cl)cc3)cn(-c3ccccn3)c2C1

HCID22461277

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af04a8fa8dd5495cacfd0b58c722ad42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][n:4](-[c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[c:5]2[c:10]1[C:9](=[O:11])[CH2:8][C:7]([CH3:12])([CH3:13])[CH2:6]2.[C:20](=[O:21])([O-:22])[O-:23].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Cl:26][c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[Cs+:24].[Cs+:25].[OH2:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([Cl:26])[cH:32][cH:31]2)[cH:3][n:4](-[c:14]2[n:15][cH:16][cH:17][cH:18][cH:19]2)[c:5]2[c:10]1[C:9](=[O:11])[CH2:8][C:7]([CH3:12])([CH3:13])[CH2:6]2