HRID174404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID10795

1,1-Dimethoxyethane

C4H10O2

HCID19660

Carbonate

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：COc1cccc2c(C3=C(c4cn(C)c5cc(I)c(F)cc45)C(=O)NC3=O)coc12

HCID24825779

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：COc1cccc2c(C3=C(c4cn(C)c5cc(-c6ccc(Cl)cc6)c(F)cc45)C(=O)NC3=O)coc12

HCID44582743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-923119021a954d008bdf453a5c1be57d
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

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