HRID90814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15623

Heliamine

C11H15NO2

结构：COc1ccc(C(C#N)(CC(C)CCl)Sc2ccc(C)cc2)cc1OC

HCID19042099

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C#N)(CC(C)CN2CCc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC

HCID20094567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ecbdaec0d3c443ba50fa4d44ebcaeed
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

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