HRID1208289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID241

Benzene

C6H6

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

结构：COc1ccccc1CN(C(=O)CCl)c1ccccc1Oc1ccccc1

HCID18407214

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CN(C(=O)COC(C)=O)c1ccccc1Oc1ccccc1

HCID18407208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bae100a5df954785ae05b223bb1ef2bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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