HRID169317

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7288

3-Pentanone

C5H10O

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

结构：C#Cc1ccc(C(CC)(CC)c2ccc(C(=O)OC)c(C)c2)cc1C

HCID57849361

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C#Cc1ccc(C(CC)(CC)c2ccc(C(=O)OC)c(C)c2)cc1C)CC

HCID57849336

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d4d77e9008b9470ba551c349ca4127f6
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

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