HRID2349952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

2 次

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ncco1

HCID15486183

2-(Tributylstannyl)-1,3-oxazole

C15H29NOSn

HCID59599704

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(-c2ccc(C)cn2)cc(-c2ncco2)c1

HCID66895486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3902ce0048548deaeafced886e8cb50
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]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10](-[c:12]2[n:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:11]1.[C:39](=[O:40])([OH:41])[O-:42].[C:51]([P:52]([C:53]([CH3:54])([CH3:55])[CH3:56])[C:57]([CH3:58])([CH3:59])[CH3:60])([CH3:61])([CH3:62])[CH3:63].[C:64]([P:65]([C:66]([CH3:67])([CH3:68])[CH3:69])[C:70]([CH3:71])([CH3:72])[CH3:73])([CH3:74])([CH3:75])[CH3:76].[CH2:21]([Sn:22]([CH2:23][CH2:24][CH2:25][CH3:31])([c:26]1[o:27][cH:28][cH:29][n:30]1)[CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38].[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cs+:20].[F-:19].[Na+:43].[Pd:50]>>[c:2]1(-[c:26]2[o:27][cH:28][cH:29][n:30]2)[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10](-[c:12]2[n:13][cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:11]1