HRID669088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)(C)Oc1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nn2)cc1C

HCID67072227

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)nn2)ccc1OC(C)(C)C(=O)O

HCID21935669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98869e647c274e44b1320655a62c45b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[c:9]([CH3:32])[cH:10][c:11]([O:14][CH2:15][c:16]2[n:17][n:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[cH:20][cH:21]2)[cH:12][cH:13]1)[CH3:33])=[O:34].[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][OH:44].[Na+:36].[OH-:35]>>[O:3]=[C:4]([C:5]([CH3:6])([O:7][c:8]1[c:9]([CH3:32])[cH:10][c:11]([O:14][CH2:15][c:16]2[n:17][n:18][c:19](-[c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[cH:20][cH:21]2)[cH:12][cH:13]1)[CH3:33])[OH:34]