HRID283217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

HCID70610

Butanedioic acid, 1-ethyl ester

C6H10O4

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccsc1

HCID10959689

Stannane, tributyl-3-thienyl-

C16H30SSn

PRODUCTS

生成物

HCID24723426

Ethyl 4-oxo-4-(thiophen-3-yl)butanoate

C10H12O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a11445c3344f809803132b7eaa9c50
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

[C:30](=[O:31])([O-:32])[OH:33].[CH2:12]([Sn:13]([CH2:14][CH2:15][CH2:16][CH3:22])([c:17]1[cH:18][s:19][cH:20][cH:21]1)[CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29].[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH2:7][C:8](=[O:9])[OH:10])=[O:11].[Cl-:1].[Na+:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[Pd:41]([Cl:42])[Cl:43].[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>>[CH2:2]([CH3:3])[O:4][C:5]([CH2:6][CH2:7][C:8](=[O:10])[c:17]1[cH:18][s:19][cH:20][cH:21]1)=[O:11]