HRID2325733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

HCID67145447

未命名化合物

PRODUCTS

生成物

HCID67145192

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90c888136f574598bc3e9e4de7cf86ee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([OH:13])[CH2:12]3)[s:8]2)[cH:14][cH:15]1.[CH2:103]([OH:104])[CH3:105].[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].[O:97]1[CH2:98][CH2:99][O:100][CH2:101][CH2:102]1.[Pd:56]([Cl:57])[Cl:58].[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.[n:16]1[cH:17][n:18][cH:19][c:20]([B:22]([OH:23])[OH:24])[cH:21]1>>[c:2]1(-[c:20]2[cH:19][n:18][cH:17][n:16][cH:21]2)[cH:3][c:4]2[c:5]([n:6][c:7]([CH:9]3[CH2:10][CH:11]([OH:13])[CH2:12]3)[s:8]2)[cH:14][cH:15]1