HRID193912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

HCID11557905

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

HCID11658882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12c06be7655a4713be7bf09521b935b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:15](=[O:16])([O-:17])[O-:18].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[NH2:1][c:2]1[cH:3][c:4]([NH:11][C:12]([CH3:13])=[O:14])[n:5][c:6]([Br:10])[c:7]1[C:8]#[N:9].[Na+:19].[Na+:20].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:41].[c:21]1([O:27][B:28]([OH:29])[OH:30])[cH:22][cH:23][cH:24][cH:25][cH:26]1.[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[cH:3][c:4]([NH:11][C:12]([CH3:13])=[O:14])[n:5][c:6](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:7]1[C:8]#[N:9]