HRID803903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID521157

Ethylboronic acid

C2H7BO2

结构：COc1ccc(CNc2nc(OC)c(-c3ccc(OC(F)(F)F)cc3OC)nc2Br)cc1

HCID23594996

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：CCc1nc(-c2ccc(OC(F)(F)F)cc2OC)c(OC)nc1NCc1ccc(OC)cc1

HCID22248943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d57b361969284145b820183bc594ad05
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:7][c:8]1[c:9]([NH:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[n:10][c:11]([O:27][CH3:28])[c:12](-[c:14]2[c:15]([O:25][CH3:26])[cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[n:13]1.[C:1](=[O:2])([O-:3])[O-:4].[CH2:39]([CH3:40])[B:41]([OH:42])[OH:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[K+:5].[K+:6].[Na+:52].[OH-:51].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([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)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([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)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([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)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:8]1([CH2:39][CH3:40])[c:9]([NH:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[n:10][c:11]([O:27][CH3:28])[c:12](-[c:14]2[c:15]([O:25][CH3:26])[cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]2)[n:13]1