HRID1561706

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID5948

Tributylstannane

C12H28Sn

HCID6547

Azobisisobutyronitrile

C8H12N4

结构：CC1CN(C(=O)OC(C)(C)C)c2ccc3cc(C#N)ccc3c21

HCID68689165

未命名化合物

结构：CC(C)(C)OC(=O)N(CC=CCl)c1ccc2cc(C#N)ccc2c1Br

HCID75066177

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(CCl)c2c1ccc1cc(C#N)ccc21

HCID44550490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23c2559ac04a4d838803557d51402bb5
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

[Br:1][c:2]1[c:3]([N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:22][CH:23]=[CH:24][Cl:25])[cH:4][cH:5][c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12.[C:51]([c:52]1[cH:53][cH:54][c:55]2[c:56]3[c:68]([cH:69][cH:70][c:71]2[cH:72]1)[N:60]([C:61]([O:62][C:63]([CH3:64])([CH3:65])[CH3:66])=[O:67])[CH2:59][CH:57]3[CH3:58])#[N:73].[CH3:26][CH2:27][CH2:28][CH2:29][SnH:30]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38].[N:39]#[C:40][C:41]([N:42]=[N:43][C:44]([C:45]#[N:46])([CH3:47])[CH3:48])([CH3:49])[CH3:50].[cH:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[c:2]12[c:3]([cH:4][cH:5][c:6]3[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]13)[N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH2:22][CH:23]2[CH2:24][Cl:25]