HRID1549091

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID4574913

未命名化合物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1

HCID59318165

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)c(F)c2)c1

HCID59318037

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50972823c6b44505af43ed954055a296
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[c:3]([F:21])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:12][cH:13][cH:14]2)[cH:19][cH:20]1.[C:22]([O:23][C:24](=[O:25])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1)([CH3:26])([CH3:27])[CH3:28].[CH3:35][C:36]([CH3:37])([O-:38])[CH3:39].[Na+:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[c:2]1([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[c:3]([F:21])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([C:15]([CH3:16])([CH3:17])[CH3:18])[cH:12][cH:13][cH:14]2)[cH:19][cH:20]1