HRID188685

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

HCID11073648

n-boc-propargylamine

C8H13NO2

HCID86615748

未命名化合物

PRODUCTS

生成物

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

HCID67520587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6eb0f27a8d884c6ba8976a26a0fef4ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:26]([C:27]#[CH:28])[NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36].[CH3:37][C:38]#[N:39].[Cu:40][I:41].[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:28]#[C:27][CH2:26][NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[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