HRID809647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID123138

Ethyl radical

C2H5

HCID522711

3-(3'-(Trifluoromethyl)phenoxy)benzaldehyde

C14H9F3O2

HCID2724942

未命名化合物

结构：CCOC(=O)C1CC1c1ccc(NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1

HCID68768178

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1CC1c1ccc(NCc2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1

HCID57665490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3cfaae5b924e4787ba6a988311934639
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

[C:20]([O:21][BH-:22]([O:23][C:24](=[O:25])[CH3:26])[O:27][C:28](=[O:29])[CH3:30])(=[O:31])[CH3:32].[CH2:67][CH3:68].[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:81][CH2:82][OH:83].[Cl:72][CH:73]([Cl:74])[CH3:75].[ClH:71].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][c:7]([O:8][c:9]2[cH:10][c:11]([CH:15]=[O:16])[cH:12][cH:13][cH:14]2)[cH:17][cH:18][cH:19]1.[F:34][C:35]([c:36]1[cH:37][c:38]([O:42][c:43]2[cH:44][c:45]([CH2:49][NH:50][c:51]3[cH:52][cH:53][c:54]([CH:57]4[CH:58]([C:60](=[O:61])[O:62][CH2:63][CH3:64])[CH2:59]4)[cH:55][cH:56]3)[cH:46][cH:47][cH:48]2)[cH:39][cH:40][cH:41]1)([F:65])[F:66].[Na+:33].[Na+:70].[OH-:69].[OH2:84]>>[F:34][C:35]([c:36]1[cH:37][c:38]([O:42][c:43]2[cH:44][c:45]([CH2:49][NH:50][c:51]3[cH:52][cH:53][c:54]([CH:57]4[CH:58]([C:60](=[O:61])[OH:62])[CH2:59]4)[cH:55][cH:56]3)[cH:46][cH:47][cH:48]2)[cH:39][cH:40][cH:41]1)([F:65])[F:66]