HRID1566892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

结构：Cc1c(NC(=O)CC(C)(C)C)cc2c(c1C)OC(C)(C)C2c1ccc(Br)cc1

HCID23113944

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1ccc(C2c3cc(NC(=O)CC(C)(C)C)c(C)c(C)c3OC2(C)C)cc1

HCID23114282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e81d75a2ff54414a86a5926a62c4ad0
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([CH3:27])([CH3:28])[O:10][c:11]3[c:12]2[cH:13][c:14]([NH:19][C:20]([CH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:15]([CH3:18])[c:16]3[CH3:17])[cH:6][cH:7]1.[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH3:29][N:30]([C:31]([CH3:32])=[O:33])[CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40]>>[c:2]1([C:31]([CH3:32])=[O:33])[cH:3][cH:4][c:5]([CH:8]2[C:9]([CH3:27])([CH3:28])[O:10][c:11]3[c:12]2[cH:13][c:14]([NH:19][C:20]([CH2:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[c:15]([CH3:18])[c:16]3[CH3:17])[cH:6][cH:7]1