HRID302172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID72874

4-Iodosalicylic acid

C7H5IO3

HCID83717

Copper iodide (CuI2)

CuI2

结构：C#CC(O)c1cc(OCCOCC)c2c(c1)C(C)(C)CCC2(C)C

HCID86612594

未命名化合物

PRODUCTS

生成物

结构：CCOCCOc1cc(C(O)C#Cc2ccc(C(=O)O)c(O)c2)cc2c1C(C)(C)CCC2(C)C

HCID11488140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82c7250bbfd642b686405987f2905099
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][C:2]1([CH3:24])[c:3]2[c:4]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH3:23])[cH:5][c:6]([CH:14]([C:15]#[CH:16])[OH:17])[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl-:36].[Cu:50]([I:51])[I:52].[NH4+:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH:25][c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][c:33]([I:35])[cH:34]1>>[CH3:1][C:2]1([CH3:24])[c:3]2[c:4]([O:18][CH2:19][CH2:20][O:21][CH2:22][CH3:23])[cH:5][c:6]([CH:14]([C:15]#[C:16][c:33]3[cH:32][cH:31][c:27]([C:28](=[O:29])[OH:30])[c:26]([OH:25])[cH:34]3)[OH:17])[cH:7][c:8]2[C:9]([CH3:12])([CH3:13])[CH2:10][CH2:11]1