HRID197499

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

HCID19660

Carbonate

CO3-2

HCID2762745

2-Pyridineboronic acid

C5H6BNO2

结构：CCCCOC(=O)c1nc(Br)c2ccccc2c1OCc1ccccc1

HCID86014503

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：CCCCOC(=O)c1nc(-c2ccccn2)c2ccccc2c1OCc1ccccc1

HCID66713369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67a1aad96bb24e7fbbf734f87f730359
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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