HRID686444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8007

Butylamine

C4H11N

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24350

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

CuI

HCID105144

Palladium(2+)

Pd+2

HCID53891537

未命名化合物

PRODUCTS

生成物

HCID53829249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df4676cb71b2478cbbc2fa6202531b77
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:41]([CH3:42])([CH3:43])([CH3:44])[C:45]#[CH:46].[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH2:36]([NH2:37])[CH2:38][CH2:39][CH3:40].[Cl:1][CH:2]=[CH:3][CH2:4][N:5]([CH2:6][CH2:7][CH3:8])[CH2:9][c:10]1[cH:11][c:12]([OH:16])[cH:13][cH:14][cH:15]1.[Cu:47][I:48].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[Pd+2:53].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH:2](=[CH:3][CH2:4][N:5]([CH2:6][CH2:7][CH3:8])[CH2:9][c:10]1[cH:11][c:12]([OH:16])[cH:13][cH:14][cH:15]1)[C:46]#[C:45][C:41]([CH3:42])([CH3:43])[CH3:44]