HRID2331399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID180

Acetone

C3H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID78205

Carbonochloridic acid, (4-nitrophenyl)methyl ester

C8H6ClNO4

HCID178418339

Butyllithium

C4H9Li

结构：[C-]#[N+]C1C(=O)N(C(C(=O)OC)=C(C)C)C1CC=C

HCID178482300

未命名化合物

PRODUCTS

生成物

结构：[C-]#[N+]C1(C(C)(C)OC(=O)OCc2ccc([N+](=O)[O-])cc2)C(=O)N(C(C(=O)OC)=C(C)C)C1CC=C

HCID178482218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b14cec6527443cca574cbfcfb9b0eb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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