HRID285918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7498

alpha-Bromotoluene

C7H7Br

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：C#CCOc1ccc(N)c(C(=O)c2ccc(C(C)C)cc2)c1

HCID45139628

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccc(NCc2ccccc2)c(C(=O)c2ccc(C(C)C)cc2)c1

HCID45140213

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b81786c8ed9489e81531f966206d8cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH2:31]([N:32]([CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38])[CH3:39].[NH2:1][c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]2)[cH:4][c:5]([O:8][CH2:9][C:10]#[CH:11])[cH:6][cH:7]1.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[NH:1]([c:2]1[c:3]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[CH3:22])[cH:18][cH:19]2)[cH:4][c:5]([O:8][CH2:9][C:10]#[CH:11])[cH:6][cH:7]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1