HRID307867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID136600

3-Methylphenylacetylene

C9H8

HCID57516778

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)c1

HCID53494441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6bb6c37f522453db367d3eece4a9fff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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