HRID134615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID10821

Phenylacetylene

C8H6

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)CNC(=O)C1=C(O)C(C)(C)c2cc(Br)ccc2C1=O

HCID178451288

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CNC(=O)C1=C(O)C(C)(C)c2cc(C#Cc3ccccc3)ccc2C1=O

HCID178451290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-050894670af54934bf27bd1c8dec021b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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