HRID118232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(C2(C#Cc3ccc(OCCO)cc3)CCC3(CC2)OCCO3)cc1OC1CCCC1

HCID54179862

4-(3-Cyclopentyloxy-4-methoxyphenyl)-4-(2-[4-(2-hydroxyethan-1-oxy)phenyl]ethynyl)-1,1-(ethylenedioxy)cyclohexane

C30H36O6

PRODUCTS

生成物

结构：COc1ccc(C2(C#Cc3ccc(OCCO)cc3)CCC(=O)CC2)cc1OC1CCCC1

HCID54316100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-699bb4b8f91f4ab2ae773d236453639a
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

[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:27]4[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][OH:36])[cH:31][cH:32]4)[CH2:16][CH2:17][C:18]4([CH2:19][CH2:20]3)[O:21][CH2:24][CH2:23][O:22]4)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[ClH:37].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38]>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:25]#[C:26][c:27]4[cH:28][cH:29][c:30]([O:33][CH2:34][CH2:35][OH:36])[cH:31][cH:32]4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1