HRID155199

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

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID292189

2-Formylphenylboronic acid

C7H7BO3

HCID2776578

5-Bromo-1-benzothiophene

C8H5BrS

PRODUCTS

生成物

HCID60139760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95aaa039f17342408eb55edc00dbbd02
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][c:2]1[cH:3][c:4]2[c:5]([s:6][cH:7][cH:8]2)[cH:9][cH:10]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][CH2:36][OH:37].[CH:11](=[O:12])[c:13]1[c:14]([B:19]([OH:20])[OH:21])[cH:15][cH:16][cH:17][cH:18]1.[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27].[OH2:38].[Pd:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[c:2]1(-[c:14]2[c:13]([CH:11]=[O:12])[cH:18][cH:17][cH:16][cH:15]2)[cH:3][c:4]2[c:5]([s:6][cH:7][cH:8]2)[cH:9][cH:10]1