HRID802495

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

反应SMILES：CCOC(=O)C(C)(C)Oc1ccc(OCc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2C)cc1C

HCID67072212

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(OCc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2C)ccc1OC(C)(C)C(=O)O

HCID11477049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-564b2112023243d8a0df1e5aa8821ab3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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