HRID807388

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

结构：CCN(CC=CCl)Cc1cccc(OCc2cccc(-c3ccsc3)c2)c1

HCID54209886

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN(CC=CC#CC(C)(C)C)Cc1cccc(OCc2cccc(-c3ccsc3)c2)c1

HCID53740804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a73b3a97207b497fb844f51bf77a5767
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:52]([CH3:53])([CH3:54])([CH3:55])[C:56]#[CH:57].[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:47]([NH2:48])[CH2:49][CH2:50][CH3:51].[Cl:1][CH:2]=[CH:3][CH2:4][N:5]([CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][c:11]([O:15][CH2:16][c:17]2[cH:18][c:19](-[c:23]3[cH:24][s:25][cH:26][cH:27]3)[cH:20][cH:21][cH:22]2)[cH:12][cH:13][cH:14]1.[Cu:58][I:59].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[Pd+2:64].[c:28]1([P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[CH:2](=[CH:3][CH2:4][N:5]([CH2:6][CH3:7])[CH2:8][c:9]1[cH:10][c:11]([O:15][CH2:16][c:17]2[cH:18][c:19](-[c:23]3[cH:24][s:25][cH:26][cH:27]3)[cH:20][cH:21][cH:22]2)[cH:12][cH:13][cH:14]1)[C:57]#[C:56][C:52]([CH3:53])([CH3:54])[CH3:55].[ClH:1]