HRID2322319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CC(C)Cn1nc2c(-c3ccc(Cl)cc3)c(Br)ccn2c1=O

HCID57799375

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：COc1ccc(-c2ccn3c(=O)n(CC(C)C)nc3c2-c2ccc(Cl)cc2)cc1

HCID57799400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0512c43f8f4846d3aa0400ae81278ba8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[c:4]2[n:5]([cH:6][cH:7]1)[c:8](=[O:15])[n:9]([CH2:11][CH:12]([CH3:13])[CH3:14])[n:10]2.[CH3:23][O:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:46].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([O:24][CH3:23])[cH:30][cH:29]2)[c:3](-[c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[c:4]2[n:5]([cH:6][cH:7]1)[c:8](=[O:15])[n:9]([CH2:11][CH:12]([CH3:13])[CH3:14])[n:10]2