HRID111664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID142076

4-Ethoxy-3-methoxyphenethylamine

C11H17NO2

结构：Cc1cc(C)c(-n2cnc3c(NCCCl)cc(C)nc32)c(C)c1

HCID22034143

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(CCNCCNc2cc(C)nc3c2ncn3-c2c(C)cc(C)cc2C)cc1OC

HCID22034137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71cf74022d35425a865020c6b9e23c18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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