HRID954606

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2773526

4-(N-Methylaminocarbonyl)phenylboronic acid

C8H10BNO3

HCID86614652

7-(6-Chloropyridin-3-yloxy)-2-iodothieno[3,2-b]pyridine

C12H6ClIN2OS

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：CNC(=O)c1ccc(-c2cc3nccc(Oc4ccc(Cl)nc4)c3s2)cc1

HCID58949432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6187ace063e4e83852cb48e7e2c7f7d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:126][CH2:127][OH:128].[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl:14][c:15]1[cH:16][cH:17][c:18]([O:21][c:22]2[c:23]3[c:24]([n:25][cH:26][cH:27]2)[cH:28][c:29]([I:31])[s:30]3)[cH:19][n:20]1.[Cl:45][CH2:46][Cl:47].[Cs+:36].[Cs+:37].[OH2:48].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([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)[cH:124][cH:125]1>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:29]2[cH:28][c:24]3[c:23]([c:22]([O:21][c:18]4[cH:17][cH:16][c:15]([Cl:14])[n:20][cH:19]4)[cH:27][cH:26][n:25]3)[s:30]2)[cH:9][cH:10]1