HRID1573279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID564216

Pyridine, 2-bromo-5-methyl-

C6H6BrN

结构：COC(=O)c1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1

HCID53436914

Methyl 3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

C14H18BBrO4

PRODUCTS

生成物

HCID59599704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6da1f860a26e41149611a4d6c12316bc
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[n:3][cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[CH3:9][O:10][C:11]([c:12]1[cH:13][c:14]([Br:27])[cH:15][c:16]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[cH:17]1)=[O:28].[K+:34].[K+:35].[K+:36].[OH2:43].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[Pd:120].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1(-[c:16]2[cH:15][c:14]([Br:27])[cH:13][c:12]([C:11]([O:10][CH3:9])=[O:28])[cH:17]2)[n:3][cH:4][c:5]([CH3:8])[cH:6][cH:7]1