HRID2324206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10821

Phenylacetylene

C8H6

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)OCC1OC(n2cnc3c(Br)ncnc32)C2OC(C)(C)OC12

HCID178476005

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(n2cnc3c(C#Cc4ccccc4)ncnc32)C2OC(C)(C)OC12

HCID178476010

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8bf3aabb0d64273bca5d50907d29e22
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

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