HRID1142563

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

HCID166653

Hydride

H-

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

HCID10468275

未命名化合物

HCID14234296

Methyl bromo(2-methoxyphenyl)acetate

C10H11BrO3

PRODUCTS

生成物

结构：COC(=O)C(c1ccccc1OC)n1c(=O)n(C(=O)OC(C)(C)C)c2ccc(Cl)cc21

HCID24901092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7281c5400b7f424ab2fd35860cc6e27f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:21][CH:22]([C:23](=[O:24])[O:25][CH3:26])[c:27]1[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl-:35].[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+:36].[Na+:20].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[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][CH3:26])[c:27]2[c:28]([O:33][CH3:34])[cH:29][cH:30][cH:31][cH:32]2)[cH:17][cH:18]1