HRID93157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7726

4-Chlorobenzaldehyde

C7H5ClO

HCID2724942

未命名化合物

HCID66758446

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(N(CC(N)=O)Cc2ccc(Cl)cc2)C1

HCID66758387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eddb1bc96554e4fb2cf5a1f3c2ea0a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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