HRID213852

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-

HCID11000147

未命名化合物

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

HCID66755179

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(c1ccccc1)n1c(=O)n(C(=O)OC(C)(C)C)c2ccc(I)cc21

HCID66754745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35201b259b66433a88d01079322224e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:21][CH:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl-:36].[H-:19].[I: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.[NH4+:37].[Na+:20].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[I: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][C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:17][cH:18]1