HRID2323586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID21706426

未命名化合物

结构：CNC(=O)c1c(N)n(Cc2ccccn2)c2nc(Cl)ccc2c1=O

HCID86642338

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CNC(=O)c1c(N)n(Cc2ccccn2)c2nc(C#CC(C)(O)COC)ccc2c1=O

HCID67081774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2b6ad95a2a34453a32eb71aa1e66a97
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

[CH3:25][O:26][CH2:27][C:28]([C:29]#[CH:30])([OH:31])[CH3:32].[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[Cu:45][I:46].[NH2:1][c:2]1[n:3]([CH2:18][c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[c:4]2[n:5][c:6]([Cl:17])[cH:7][cH:8][c:9]2[c:10](=[O:16])[c:11]1[C:12](=[O:13])[NH:14][CH3:15]>>[ClH:17].[NH2:1][c:2]1[n:3]([CH2:18][c:19]2[n:20][cH:21][cH:22][cH:23][cH:24]2)[c:4]2[n:5][c:6]([C:30]#[C:29][C:28]([CH2:27][O:26][CH3:25])([OH:31])[CH3:32])[cH:7][cH:8][c:9]2[c:10](=[O:16])[c:11]1[C:12](=[O:13])[NH:14][CH3:15]