HRID150891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID571805

未命名化合物

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CNCC21

HCID19376827

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C1(O)CCC(c2ccccc2)(c2ccccc2)C2CN(C(=O)C(NC(=O)OC(C)(C)C)c3ccccc3)CC21

HCID178489427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c325236da86e4d4ab3742a50b99270bc
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:32]([CH3:33])([CH3:34])([CH3:35])[O:36][C:37](=[O:38])[NH:39][CH:40]([C:41](=[O:42])[OH:43])[c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[ClH:1].[c:2]1([C:8]2([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:9][CH2:10][C:11]([OH:17])([c:18]3[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]3)[CH:12]3[CH2:13][NH:14][CH2:15][CH:16]23)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([C:8]2([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:9][CH2:10][C:11]([OH:17])([c:18]3[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]3)[CH:12]3[CH2:13][N:14]([C:41]([CH:40]([NH:39][C:37]([O:36][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:38])[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)=[O:42])[CH2:15][CH:16]23)[cH:3][cH:4][cH:5][cH:6][cH:7]1