HRID1201374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID16021

1-Ethylcyclohexanol

C8H16O

HCID24350

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

CuI

结构：COC(=O)CCCn1c(-c2cccc(F)c2)nc2c(N)nc(I)nc21

HCID22133918

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCCC3)nc21

HCID22133832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5237b6afbb424bed99e7a3629511cfa2
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

[CH2:31]([CH3:32])[C:33]1([OH:39])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cu:40][I:41].[NH2:1][c:2]1[c:3]2[n:4][c:5](-[c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]3)[n:6]([CH2:12][CH2:13][CH2:14][C:15](=[O:16])[O:17][CH3:18])[c:7]2[n:8][c:9]([I:11])[n:10]1>>[NH2:1][c:2]1[c:3]2[n:4][c:5](-[c:19]3[cH:20][c:21]([F:25])[cH:22][cH:23][cH:24]3)[n:6]([CH2:12][CH2:13][CH2:14][C:15](=[O:16])[O:17][CH3:18])[c:7]2[n:8][c:9]([C:32]#[C:31][C:33]2([OH:39])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[n:10]1