HRID1564444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID139852

5-Hexynenitrile

C6H7N

结构：Cc1ccc(-c2c(CNC(=O)OC(C)(C)C)c(CC(C)C)nc3ccc(OS(=O)(=O)C(F)(F)F)cc23)cc1

HCID51050343

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(CNC(=O)OC(C)(C)C)c(CC(C)C)nc3ccc(C#CCCCC#N)cc23)cc1

HCID86605666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f53964931b0e404dba552b92770b1337
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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