HRID164627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID241

Benzene

C6H6

HCID6329

Methylamine

CH5N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1coc(N2CC(C(C)(C)C)C2O[SiH](c2ccccc2)c2ccccc2)n1

HCID173183367

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1CN(c2nc(C#N)co2)C1O[SiH](c1ccccc1)c1ccccc1

HCID173183469

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ea2a71caee943ee9afe7a178274bb94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:19][SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[N:7]([c:9]2[o:10][cH:11][c:12]([C:14]([O:15][CH2:16][CH3:17])=[O:18])[n:13]2)[CH2:8]1.[CH3:33][Al:34]([CH3:35])[CH3:36].[CH3:37][NH2:38].[CH3:39][C:40](=[O:41])[OH:42].[cH:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:19][SiH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[N:7]([c:9]2[o:10][cH:11][c:12]([C:14]#[N:38])[n:13]2)[CH2:8]1