HRID134693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID8025

Ethyl formate

C3H6O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID618246

2-methyl-1-tritylimidazole

C23H20N2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：O=CCc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1

HCID50990811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d1e77e27e644036bc9495c2d8339a9f
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

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].[CH3:6][c:7]1[n:8]([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:9][cH:10][n:11]1.[CH:36]([O:37][CH2:38][CH3:39])=[O:40].[O:31]1[CH2:32][CH2:35][CH2:34][CH2:33]1.[OH:41][C:42]([CH2:43][C:44]([C:45](=[O:46])[OH:47])([CH2:48][C:49](=[O:50])[OH:51])[OH:52])=[O:53]>>[CH2:6]([c:7]1[n:8]([C:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:9][cH:10][n:11]1)[CH:32]=[O:31]