HRID2338904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13512

3,3-Dimethylbutyne

C6H10

HCID24350

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

CuI

结构：CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(Cl)c4ccccc34)cc2)n1

HCID42604330

未命名化合物

PRODUCTS

生成物

结构：CNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(C#CC(C)(C)C)c4ccccc34)cc2)n1

HCID57756219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edbda0b3eef245329dd8cd28478f8051
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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