HRID662993

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

HCID8857

Ethyl acetate

C4H8O2

HCID97780

2-Bromo-2-phenylacetic acid ethyl ester

C10H11BrO2

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)n1c(=O)[nH]c2cc(Cl)ccc21

HCID10468275

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(c1ccccc1)n1c(=O)n(C(=O)OC(C)(C)C)c2ccc(Cl)cc21

HCID66755266

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45ca652efe914d0aa98bd22c8783747f
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

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