HRID298130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID3280088

未命名化合物

结构：CC(C)C(=O)c1ccc2c(c1)CC(N1C(=O)c3ccccc3C1=O)C2

HCID18929733

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COC(=O)CC(C)(C)C(=O)c1ccc2c(c1)CC(N1C(=O)c3ccccc3C1=O)C2

HCID18929738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d51213d1e8a458fac1524f7b8a9acac
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

[Br:41][CH2:42][C:43](=[O:44])[O:45][CH3:46].[C:16]1(=[O:40])[N:17]([CH:26]2[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:32][c:33]3[CH2:34]2)[C:18](=[O:25])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]21.[CH2:11]([Li:12])[CH2:13][CH2:14][CH3:15].[CH3:1][Si:2]([N-:3][Si:4]([CH3:5])([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl-:47].[Li+:10].[NH4+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[C:16]1(=[O:40])[N:17]([CH:26]2[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:35]([C:36]([CH3:37])([CH3:38])[CH2:42][C:43](=[O:44])[O:45][CH3:46])=[O:39])[cH:32][c:33]3[CH2:34]2)[C:18](=[O:25])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]21