HRID1548710

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID6603

Pempidine

C10H21N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID61140

n-Butyl chloroformate

C5H9ClO2

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

HCID11769566

n-butyl phenylpropynoate

C13H14O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38166ee41b1e4335aed3be22f3f255a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:20][N:21]1[C:22]([CH3:23])([CH3:24])[CH2:25][CH2:26][CH2:27][C:28]1([CH3:29])[CH3:30].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[Cl:39][C:40](=[O:41])[O:42][CH2:43][CH2:44][CH2:45][CH3:46].[Cl:65][CH2:66][Cl:67].[O-:57][C:58]([CH3:59])=[O:60].[O-:61][C:62]([CH3:63])=[O:64].[Pd+2:56].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:31]1([C:37]#[CH:38])[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[c:31]1([C:37]#[C:38][C:40](=[O:41])[O:42][CH2:43][CH2:44][CH2:45][CH3:46])[cH:32][cH:33][cH:34][cH:35][cH:36]1