HRID2322615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1140

Toluene

C7H8

HCID75452

4-Methoxybenzylamine

C8H11NO

结构：CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(Br)C1

HCID66842075

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(NCc2ccc(OC)cc2)C1

HCID44177846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e28f3bda70641f6a869a38c49f6449c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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