HRID1545378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID22274657

未命名化合物

PRODUCTS

生成物

HCID11482439

4-[2-(2-Hydroxyethyl)-1-benzofuran-5-yl]benzonitrile

C17H13NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-384e765d22a242e89b74e592fff257e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][OH:12])[o:9]2)[cH:13]1.[C:14](#[N:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH:25]1([P:26]([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2-[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[OH2:145].[Pd:68].[c:107]1([P:108]([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)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:126]1([P:127]([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141][cH:142][cH:143][cH:144]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([C:14]#[N:15])[cH:21][cH:20]2)[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH2:10][CH2:11][OH:12])[o:9]2)[cH:13]1