HRID143269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID24350

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

CuI

HCID24841

Hydrogen iodide

HCID86084778

未命名化合物

HCID86615748

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc(Nc3ncnc(C#CC=CCNC(=O)OC(C)(C)C)c3N)cc2C)cn1

HCID91492872

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c24867c4a3748ad941e10f724f48c7f
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

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