HRID148769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1c(F)cc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914563

未命名化合物

HCID68770114

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：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(c1)nnn2-c1ccccc1Cl

HCID25234538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57d7ea9ee944461dbc966bebf0eb0a1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:24][c:25]1[cH:26][c:27]2[c:28]([n:29](-[c:32]3[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]3)[n:30][n:31]2)[cH:39][cH:40]1.[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:22])[c:9]([CH3:21])[c:10]([B:12]3[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]3)[cH:11]2)=[O:23])[CH2:2][CH2:3]1.[Na+:41].[Na+:42].[Na+:48].[O-:43][C:44](=[O:45])[O-:46].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH-:47].[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>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8]([F:22])[c:9]([CH3:21])[c:10](-[c:25]3[cH:26][c:27]4[c:28]([n:29](-[c:32]5[c:33]([Cl:38])[cH:34][cH:35][cH:36][cH:37]5)[n:30][n:31]4)[cH:39][cH:40]3)[cH:11]2)=[O:23])[CH2:2][CH2:3]1