HRID313461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID2773426

2-Formylthiophene-3-boronic acid

C5H5BO3S

结构：COC(=O)c1ccc2c(C3CCCCC3)c(Br)n(CC(=O)OC(C)(C)C)c2c1

HCID29943315

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccsc3C=O)n(CC(=O)OC(C)(C)C)c2c1

HCID86604968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecada2b359814b2ea9fa5a53a2905c09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[n:3]([CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:4]2[cH:5][c:6]([C:17](=[O:18])[O:19][CH3:20])[cH:7][cH:8][c:9]2[c:10]1[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:29](=[O:30])[c:31]1[s:32][cH:33][cH:34][c:35]1[B:36]([OH:37])[OH:38].[Na+:43].[Na+:44].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[Pd:57]([Cl:58])[Cl:59].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[c:2]1(-[c:35]2[c:31]([CH:29]=[O:30])[s:32][cH:33][cH:34]2)[n:3]([CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[c:4]2[cH:5][c:6]([C:17](=[O:18])[O:19][CH3:20])[cH:7][cH:8][c:9]2[c:10]1[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1