HRID952045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID81531

Diisopropylethylamine

C8H19N

HCID10558668

1-fluoro-4-prop-2-ynyl-benzene

C9H7F

结构：Cn1c(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)c2cc(I)ccc21

HCID22281881

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)n(Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)c2cc(C#CCc3ccc(F)cc3)ccc21

HCID10207080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9a364028ee34be986b440a05fdad8f3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH2:34][CH3:35])([CH3:36])[CH3:37].[Cu:54][I:55].[F:38][c:39]1[cH:40][cH:41][c:42]([CH2:45][C:46]#[CH:47])[cH:43][cH:44]1.[I:1][c:2]1[cH:3][c:4]2[c:5](=[O:28])[n:6]([CH2:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27]3)[c:7](=[O:13])[n:8]([CH3:12])[c:9]2[cH:10][cH:11]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48]>>[c:2]1([C:47]#[C:46][CH2:45][c:42]2[cH:41][cH:40][c:39]([F:38])[cH:44][cH:43]2)[cH:3][c:4]2[c:5](=[O:28])[n:6]([CH2:14][c:15]3[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26][cH:27]3)[c:7](=[O:13])[n:8]([CH3:12])[c:9]2[cH:10][cH:11]1