HRID195492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

结构：COC(=O)c1cc(Br)cc(C)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1

HCID70053864

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：COC(=O)c1cc(-c2ccccc2C=O)cc(C)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1

HCID86754308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-126b72cf508b4c79ae828da9725b2e7a
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

[BH:32]([OH:33])[OH:34].[C:43](=[O:44])([O-:45])[O-:46].[CH3:1][O:2][C:3]([c:4]1[c:5]([N:12]([CH2:13][c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:6]([CH3:11])[cH:7][c:8]([Br:10])[cH:9]1)=[O:31].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:35](=[O:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Na+:47].[Na+:48].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)[P:99]([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)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N:12]([CH2:13][c:14]2[cH:15][n:16][cH:17][cH:18][cH:19]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([O:29][CH3:30])[cH:27][cH:28]2)[c:6]([CH3:11])[cH:7][c:8](-[c:38]2[c:37]([CH:35]=[O:36])[cH:42][cH:41][cH:40][cH:39]2)[cH:9]1)=[O:31]