HRID155719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID7582

Dicyclohexylamine

C12H23N

HCID8028

Tetrahydrofuran

C4H8O

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

HCID105144

Palladium(2+)

Pd+2

HCID4060964

未命名化合物

结构：Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

HCID4608326

未命名化合物

PRODUCTS

生成物

HCID23136659

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a06715144dc04e2fbebda1d31be057b9
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:56][c:57]1[cH:58][cH:59][c:60]([F:63])[cH:61][cH:62]1.[C:43]([PH+:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])([CH3:53])([CH3:54])[CH3:55].[CH3:64][C:65]([CH3:66])([C:67]#[CH:68])[OH:69].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH:1]1([NH:2][CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1.[Cl-:71].[Na+:70].[O-:73][C:74]([CH3:75])=[O:76].[O-:77][C:78]([CH3:79])=[O:80].[O:88]1[CH2:89][CH2:90][CH2:91][CH2:92]1.[Pd+2:72].[c:14]1([CH3:15])[cH:16][cH:17][c:18]([B-:19]([c:20]2[cH:21][cH:22][c:23]([CH3:24])[cH:25][cH:26]2)([c:27]2[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]2)[c:34]2[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]2)[cH:41][cH:42]1>>[c:57]1([CH2:64][C:65]([CH3:66])([C:67]#[CH:68])[OH:69])[cH:58][cH:59][c:60]([F:63])[cH:61][cH:62]1