HRID1222191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID3760025

4-Ethynylaniline

C8H7N

结构：CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(I)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1

HCID14145741

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(C#Cc2ccc(N)cc2)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1

HCID54212222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f0679e27ad843c08605e99002b9ba5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:53][CH2:54][N:55]([CH2:56][CH3:57])[CH2:58][CH3:59].[CH:60]([Cl:61])([Cl:62])[Cl:63].[Cu:64][I:65].[I:1][c:2]1[cH:3][c:4]([CH2:26][N:27]([CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[n:5][c:6]([CH2:8][N:9]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:7]1.[NH2:44][c:45]1[cH:46][cH:47][c:48]([C:51]#[CH:52])[cH:49][cH:50]1>>[c:2]1([C:52]#[C:51][c:48]2[cH:47][cH:46][c:45]([NH2:44])[cH:50][cH:49]2)[cH:3][c:4]([CH2:26][N:27]([CH2:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][C:37](=[O:38])[O:39][C:40]([CH3:41])([CH3:42])[CH3:43])[n:5][c:6]([CH2:8][N:9]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:7]1