HRID299875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID7855

Acrylonitrile

C3H3N

HCID66460

Guanidine, N,N,N',N'-tetramethyl-

C5H13N3

结构：CCOC(=O)C1=C(C)NC(CS)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

HCID11675833

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(C)NC(CSCCC#N)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1

HCID19831203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0445239bf11c4253a620bd5fdf481c2f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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