HRID2322505

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCC(C)(Oc1ccc(CCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1)C(=O)OCC

HCID57719110

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)(Oc1ccc(CCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1)C(=O)O

HCID57718971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de701f7b2d549d9931f568e73d0fab3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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