HRID1238704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID13349623

Methyl 6-bromopyridine-3-carboxylate

C7H6BrNO2

HCID44118765

1,4-Dioxaspiro[4.5]dec-7-en-8-ylboronic acid

C8H13BO4

PRODUCTS

生成物

HCID69059497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a21e7d56b21463794ae1682de53192a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[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[c:40]([O:41][CH3:42])[cH:43][cH:44][cH:45][c:46]2[O:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[K+:59].[K+:60].[K+:61].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[O:12]1[CH2:13][CH2:14][O:15][C:16]12[CH2:17][CH:18]=[C:19]([B:22]([OH:23])[OH:24])[CH2:20][CH2:21]2.[O:72]1[CH2:73][CH2:74][O:75][CH2:76][CH2:77]1.[OH2:71].[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[Pd+2:62]>>[c:2]1([C:19]2=[CH:18][CH2:17][C:16]3([O:12][CH2:13][CH2:14][O:15]3)[CH2:21][CH2:20]2)[n:3][cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1