HRID123943

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID24350

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

CuI

HCID105144

Palladium(2+)

Pd+2

HCID11184626

未命名化合物

PRODUCTS

生成物

HCID10016779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e415579b6e684ca092f9e74a2f43ce54
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

[Br:1][c:2]1[cH:3][c:4]([C:11](=[O:12])[NH2:13])[c:5]([NH:7][C:8](=[O:9])[NH2:10])[s:6]1.[C:37]([O-:38])(=[O:39])[CH3:40].[C:42]([O-:43])(=[O:44])[CH3:45].[CH2:14]([N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[CH3:20].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cu:35][I:36].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:29].[Pd+2:41].[c:21]1([C:27]#[CH:28])[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[c:2]1([C:28]#[C:27][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:3][c:4]([C:11](=[O:12])[NH2:13])[c:5]([NH:7][C:8](=[O:9])[NH2:10])[s:6]1