HRID203185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID5948

Tributyltin

C12H28Sn

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID10803033

Tert-butyl 4-(2-bromoethyl)benzoate

C13H17BrO2

HCID11389368

1-Cyclopentene-1-carbonitrile, 5-oxo-

C6H5NO

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(CCC2CCC(=O)C2C#N)cc1

HCID10470833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92e87ddf82de4bc59c4da0cd6b56ab72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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