HRID186079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID5948

Tributyltin

C12H28Sn

HCID6547

Azobisisobutyronitrile

C8H12N4

结构：CC(C)(C)OC(=O)N1C(=O)C2CC1C(I)CC2NC(=O)OCc1ccccc1

HCID72429492

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(=O)C2CC1CCC2NC(=O)OCc1ccccc1

HCID21074904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4786f582db0242a9870e6170dea78971
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

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