HRID169191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID22345621

未命名化合物

HCID53216555

(2-Ethyl-5-methoxyphenyl)boronic acid

C9H13BO3

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

HCID66879259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8134cb1f7652461cb9543590e159d2b1
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

[CH2:36]([CH3:37])[c:38]1[c:39]([B:46]([OH:47])[OH:48])[cH:40][c:41]([O:44][CH3:45])[cH:42][cH:43]1.[CH3:134][CH2:135][N:136]([CH2:137][CH3:138])[CH2:139][CH3:140].[CH3:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cl:131][CH2:132][Cl:133].[F:15][C:16]([S:17]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])(=[O:26])=[O:27])([F:28])[F:29].[K+:30].[K+:31].[O-:32][C:33]([O-:34])=[O:35].[OH:1][c:2]1[c:3]([CH2:12][CH2:13][CH3:14])[cH:4][c:5]([C:8]([CH2:9][CH3:10])=[O:11])[cH:6][cH:7]1.[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:39]2[c:38]([CH2:36][CH3:37])[cH:43][cH:42][c:41]([O:44][CH3:45])[cH:40]2)[c:3]([CH2:12][CH2:13][CH3:14])[cH:4][c:5]([C:8]([CH2:9][CH3:10])=[O:11])[cH:6][cH:7]1