HRID301390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2736434

2-Bromo-5-(trifluoromethyl)pyridine

C6H3BrF3N

结构：CCOC(=O)c1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2[nH]1

HCID21111505

Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate

C17H22BNO4

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)c1cc2cc(-c3ccc(C(F)(F)F)cn3)ccc2[nH]1

HCID68472386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a287a9d2b5e4d62a70c9bcbd2ee0791
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

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