HRID205013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6577

Chloroacetyl chloride

C2H2Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID178418339

Butyllithium

C4H9Li

HCID178420554

未命名化合物

HCID178506790

未命名化合物

PRODUCTS

产物

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