HRID166403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4719991

N-Cyclopropyl-3,4-dimethoxybenzenemethanamine

C12H17NO2

结构：Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID58978369

未命名化合物

PRODUCTS

生成物

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

HCID58978356

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-994fdbcff1634f70a38779ae3f68ed21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:24])[OH:25])[cH:9][cH:10]1.[CH:26]1([NH:29][CH2:30][c:31]2[cH:32][c:33]([O:39][CH3:40])[c:34]([O:37][CH3:38])[cH:35][cH:36]2)[CH2:27][CH2:28]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][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:24])[N:29]([CH:26]2[CH2:27][CH2:28]2)[CH2:30][c:31]2[cH:32][c:33]([O:39][CH3:40])[c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:9][cH:10]1