HRID108697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CN(Cc2ccccc2)CC1

HCID46189536

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：CCOC(=O)C1=C(c2ccccc2)CN(Cc2ccccc2)CC1

HCID23146863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92e95331a8ba40628f5b5a4515329127
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH2:119]([CH2:120][O:121][CH3:122])[O:123][CH3:124].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([C:22](=[O:23])[O:24][CH2:25][CH3:26])=[C:12]([O:14][S:15]([C:16]([F:17])([F:18])[F:19])(=[O:20])=[O:21])[CH2:13]1.[K+:40].[K+:41].[c:27]1([B:33]([OH:34])[OH:35])[cH:28][cH:29][cH:30][cH:31][cH:32]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>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH2:10][C:11]([C:22](=[O:23])[O:24][CH2:25][CH3:26])=[C:12]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:13]1