HRID1119998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID53792440

未命名化合物

HCID54377906

4-Bromo-2,3-dihydro-2,2-dimethyl-3-benzofuranone

C10H9BrO2

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：Cc1c(-c2cccc3c2C(=O)C(C)(C)O3)ccc2nc(N)nc(N)c12

HCID86749623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47f9df6327714cbabc808d0345e40b2e
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:17][c:18]1[cH:19][cH:20][cH:21][c:22]2[c:23]1[C:24](=[O:29])[C:25]([CH3:27])([CH3:28])[O:26]2.[C:30](=[O:31])([O-:32])[O-:33].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[K+:34].[K+:35].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7]([B:14]([OH:15])[OH:16])[c:8]([CH3:13])[c:9]2[c:10]([NH2:12])[n:11]1.[OH2:36].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][c:7](-[c:18]3[cH:19][cH:20][cH:21][c:22]4[c:23]3[C:24](=[O:29])[C:25]([CH3:27])([CH3:28])[O:26]4)[c:8]([CH3:13])[c:9]2[c:10]([NH2:12])[n:11]1