HRID1146694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2366

Betahistine

C8H12N2

结构：COc1cc2c(CC(=O)O)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

HCID68613423

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(CC(=O)N(C)CCc3ccccn3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC

HCID68614425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b9ba58e4e12460090a783133bad2314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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