HRID156908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID787

Hydroxylamine

H3NO

HCID6344

Dichloromethane

CH2Cl2

结构：Cn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC(=O)NS(C)(=O)=O)c3ccccn3)ccc21

HCID18412590

未命名化合物

PRODUCTS

生成物

结构：Cn1c(CNc2ccc(C(=N)NO)cc2)nc2cc(C(=O)N(CCC(=O)NS(C)(=O)=O)c3ccccn3)ccc21

HCID178480671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1a25d2b5c464bf3bb00c41fa4755fa1
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

[CH2:41]([OH:42])[CH3:43].[CH3:47][C:48](=[O:49])[OH:50].[Cl:44][CH2:45][Cl:46].[NH2:39][OH:40].[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]([C:8](=[O:9])[c:10]2[cH:11][c:12]3[c:13]([n:14]([CH3:27])[c:15]([CH2:17][NH:18][c:19]4[cH:20][cH:21][c:22]([C:25](=[NH:26])[NH:39][OH:40])[cH:23][cH:24]4)[n:16]3)[cH:28][cH:29]2)[CH2:30][CH2:31][C:32](=[O:33])[NH:34][S:35](=[O:36])(=[O:37])[CH3:38])[cH:3][cH:4][cH:5][cH:6]1