HRID1560505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID10795

1,1-Dimethoxyethane

C4H10O2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID59200177

未命名化合物

结构：CC(C(=O)Nc1ccc(Br)[nH]c1=O)N(C)C(=O)OCc1ccccc1

HCID90956708

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)Nc1ccc(Br)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O)N(C)C(=O)OCc1ccccc1

HCID178460007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73eca795f2bc4985ad67c16e44fc92cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH3:11])[CH:12]([CH3:13])[C:14]([NH:15][c:16]1[c:17](=[O:23])[nH:18][c:19]([Br:22])[cH:20][cH:21]1)=[O:24])=[O:25].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH2:50][CH3:51])([CH3:52])[CH3:53].[F:28][c:29]1[cH:30][cH:31][c:32]([C:35](=[O:36])[c:37]2[cH:38][n:39][cH:40][c:41]([CH2:43][Cl:44])[cH:42]2)[cH:33][cH:34]1.[I-:26].[Li+:27].[O:54]([CH:55]([O:56][CH3:57])[CH3:58])[CH3:59]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH3:11])[CH:12]([CH3:13])[C:14]([NH:15][c:16]1[c:17](=[O:23])[n:18]([CH2:43][c:41]2[cH:40][n:39][cH:38][c:37]([C:35]([c:32]3[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]3)=[O:36])[cH:42]2)[c:19]([Br:22])[cH:20][cH:21]1)=[O:24])=[O:25]