HRID696389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1c(Br)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23113867

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)c(NC(=O)CC(C)(C)C)c(C)c2c1OCC2c1ccc(C(C)C)cc1

HCID11292759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f0bf64c15d3498493731bc66b517e88
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:1][c:2]1[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1.[C:36]([O:37][CH2:39][CH3:40])(=[O:38])[CH3:41].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[CH:42]([Cl:43])([Cl:44])[Cl:45]>>[c:2]1([O:38][CH3:36])[c:3]([CH3:29])[c:4]([NH:21][C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[c:5]([CH3:20])[c:6]2[c:10]1[O:9][CH2:8][CH:7]2[c:11]1[cH:12][cH:13][c:14]([CH:17]([CH3:18])[CH3:19])[cH:15][cH:16]1