HRID123958

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID7859

Propargyl alcohol

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

2 次

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID4200996

2-Chloro-5-iodotoluene

C7H6ClI

PRODUCTS

产物

HCID59407828

3-(4-Chloro-3-methylphenyl)-2-propyn-1-ol

C10H9ClO

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3c959f7014e84658beb9c306f63e7023
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:29]([C:30]#[CH:31])[OH:32].[CH:100]([Cl:101])([Cl:102])[Cl:103].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([I:8])[cH:6][cH:7]1.[Cu:42][I:43].[O:104]1[CH2:105][CH2:106][CH2:107][CH2:108]1.[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:44].[Pd:45].[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[Cl:1][c:2]1[c:3]([CH3:9])[cH:4][c:5]([C:31]#[C:30][CH2:29][OH:32])[cH:6][cH:7]1