HRID1565588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C=Cc1cccc(C#Cc2cc(C(C)C)c3c(c2)C(C)(C)CC(C)(C)O3)c1

HCID69071707

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#Cc2cccc(C=CC(=O)O)c2)cc2c1OC(C)(C)CC2(C)C

HCID69074197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15ef1aeb717943be9f433feedef4d5ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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