HRID667980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID31214

Ethyl orthoformate

C7H16O3

HCID69861

4-tert-Butylaniline

C10H15N

HCID498716

未命名化合物

HCID16100325

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCNC(=O)c1ccc(CNc2ccc(C(C)(C)C)cc2)cc1

HCID16100341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1e0dc63d43646ee81ae67ee4324494c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:28]([BH3-:29])#[N:30].[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[cH:37][cH:38][c:39]([NH2:40])[cH:41][cH:42]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH:14]=[O:15])[cH:12][cH:13]1)=[O:16])=[O:17].[CH3:50][C:51](=[O:52])[OH:53].[CH:18]([O:19][CH2:20][CH3:21])([O:22][CH2:23][CH3:24])[O:25][CH2:26][CH3:27].[Cl-:44].[Na+:31].[Na+:43].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][NH:6][C:7]([c:8]1[cH:9][cH:10][c:11]([CH2:14][NH:40][c:39]2[cH:38][cH:37][c:36]([C:32]([CH3:33])([CH3:34])[CH3:35])[cH:42][cH:41]2)[cH:12][cH:13]1)=[O:16])=[O:17]