HRID205013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID178418339

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

HCID178506790

未命名化合物

PRODUCTS

生成物

HCID11008503

1-chloro-4-phenyl-3-Butyn-2-one

C10H7ClO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ad008b6996c45c5bf3e6e0fe49fb5a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:28]1[O:29][CH2:30][CH2:31][CH2:32]1.[CH2:9]([Li:10])[CH2:11][CH2:12][CH3:13].[CH3:116][CH2:117][O:118][C:119](=[O:120])[CH3:121].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[Cl:23][CH2:24][C:25](=[O:26])[Cl:27].[c:14]1([C:15]#[C:16][Li:17])[cH:18][cH:19][cH:20][cH:21][cH:22]1.[c:1]1([C:7]#[CH:8])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([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)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:1]1([C:7]#[C:8][C:25]([CH2:24][Cl:23])=[O:26])[cH:2][cH:3][cH:4][cH:5][cH:6]1