HRID298997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7748

Ethyl bromoacetate

C4H7BrO2

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CCCC(C(O)c2cccc(Cl)c2)C1

HCID58011573

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COC(c1cccc(Cl)c1)C1CCCN(C(=O)OC(C)(C)C)C1

HCID58011470

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11493eac00534877a203b33209347b01
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:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl-:32].[Cl:3][c:4]1[cH:5][c:6]([CH:10]([CH:11]2[CH2:12][N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15][CH2:16]2)[OH:24])[cH:7][cH:8][cH:9]1.[H-:2].[NH4+:33].[Na+:1].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[Cl:3][c:4]1[cH:5][c:6]([CH:10]([CH:11]2[CH2:12][N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:15][CH2:16]2)[O:24][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:7][cH:8][cH:9]1