HRID1128827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)C(Cc1ccc(OCCn2c(C(F)(F)C(F)(F)F)nc3ccccc32)cc1)OCC

HCID86609608

未命名化合物

PRODUCTS

生成物

结构：CCOC(Cc1ccc(OCCn2c(C(F)(F)C(F)(F)F)nc3ccccc32)cc1)C(=O)O

HCID11851904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41f8630b663e44fa83a1e6a141fda08e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][CH:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][n:20]2[c:21]([C:29]([C:30]([F:31])([F:32])[F:33])([F:34])[F:35])[n:22][c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:15][cH:16]1.[CH3:38][CH2:39][OH:40].[Na+:37].[OH-:36].[OH2:41]>>[CH2:1]([CH3:2])[O:3][CH:4]([C:5](=[O:6])[OH:7])[CH2:10][c:11]1[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][n:20]2[c:21]([C:29]([C:30]([F:31])([F:32])[F:33])([F:34])[F:35])[n:22][c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:15][cH:16]1