HRID309155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4719991

N-Cyclopropyl-3,4-dimethoxybenzenemethanamine

C12H17NO2

结构：CN(C)c1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

HCID58978433

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(C(=O)CN(c2cccc(N(C)C)c2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1OC

HCID58978438

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74b09b39c02541f5b30567423385db28
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

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