HRID171430

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：CCOC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1CBr

HCID17951768

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)c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccc(C(F)(F)F)cc1

HCID17951848

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-512d65ec2e534b94bf805566a29a3599
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

[Br:1][CH2:2][c:3]1[n:4][c:5](-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[s:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:52][CH2:53][OH:54].[F:29][C:30]([c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1)([F:40])[F:41].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:51].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH2:2]([c:3]1[n:4][c:5](-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[s:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12])[c:34]1[cH:33][cH:32][c:31]([C:30]([F:29])([F:40])[F:41])[cH:36][cH:35]1