HRID102619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)CC1CCCn2c1cc1cc(OCc3cc(C#N)cc(OC(F)(F)F)c3)ccc12

HCID67248872

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cc(COc2ccc3c(c2)cc2n3CCCC2CC(=O)O)cc(OC(F)(F)F)c1

HCID58329617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b449ed58a3ac4312b448b672294341d0
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

[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]3[cH:11][c:12]4[n:13]([c:14]3[cH:15][cH:16]2)[CH2:17][CH2:18][CH2:19][CH:20]4[CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:27][c:28]([O:30][C:31]([F:32])([F:33])[F:34])[cH:29]1.[Li+:36].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH-:35].[OH2:56].[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]3[cH:11][c:12]4[n:13]([c:14]3[cH:15][cH:16]2)[CH2:17][CH2:18][CH2:19][CH:20]4[CH2:21][C:22](=[O:23])[OH:24])[cH:27][c:28]([O:30][C:31]([F:32])([F:33])[F:34])[cH:29]1