HRID116243

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

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID178426173

未命名化合物

PRODUCTS

生成物

HCID178426176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-529a93c659504cb5bb48bbac56302339
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:41][c:42]1[cH:43][c:44]2[cH:45][cH:46][c:47]([CH2:52][CH2:53][N:54]3[CH:55]([CH3:59])[CH2:56][CH2:57][CH2:58]3)[n:48][c:49]2[cH:50][cH:51]1.[CH3:60][O:61][CH2:62][CH2:63][O:64][CH3:65].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:66].[Pd:73].[c:112]1([P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127][cH:128][cH:129][cH:130]1.[c:131]1([P:132]([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146][cH:147][cH:148][cH:149]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1.[n:26]1[cH:27][c:28]([B:32]([OH:33])[OH:34])[cH:29][cH:30][cH:31]1>>[n:26]1[cH:27][c:28](-[c:42]2[cH:43][c:44]3[cH:45][cH:46][c:47]([CH2:52][CH2:53][N:54]4[CH:55]([CH3:59])[CH2:56][CH2:57][CH2:58]4)[n:48][c:49]3[cH:50][cH:51]2)[cH:29][cH:30][cH:31]1