HRID124148

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(F)(F)F)cc(C(F)(F)F)c3)ccc12

HCID86654875

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CC1CCCn2c1cc1cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12

HCID58329579

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93c69185000c4c32ac3a208018c58b5d
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

[F:1][C: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]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[Li+:37].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:36].[OH2:57].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[F:1][C: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]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35]