HRID298624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID23005339

[2-(Benzyloxy)-5-(trifluoromethyl)phenyl]boronic acid

C14H12BF3O3

HCID69312172

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：CCOC(=O)c1cc(NC(C)=O)ccc1-c1ccccc1-c1cc(C(F)(F)F)ccc1OCc1ccccc1

HCID58731007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6301d56cc4df47b286423a692682fa9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:22]([CH3:23])(=[O:24])[NH:25][c:26]1[cH:27][c:28]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[c:29](-[c:32]2[c:33]([Br:38])[cH:34][cH:35][cH:36][cH:37]2)[cH:30][cH:31]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:50]([OH:51])[CH3:52].[CH3:60][CH2:61][O:62][CH2:63][CH3:64].[K+:48].[K+:49].[OH2:65].[c:1]1([CH2:7][O:8][c:9]2[c:10]([B:19]([OH:20])[OH:21])[cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:53]1([CH3:54])[cH:55][cH:56][cH:57][cH:58][cH:59]1.[cH:66]1[cH:67][cH:68][c:69]([P:70]([Pd:71]([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)[P:110]([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)([c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[cH:141][cH:142]1>>[c:1]1([CH2:7][O:8][c:9]2[c:10](-[c:33]3[c:32](-[c:29]4[c:28]([C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:27][c:26]([NH:25][C:22]([CH3:23])=[O:24])[cH:31][cH:30]4)[cH:37][cH:36][cH:35][cH:34]3)[cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1