HRID213290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

4 次

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

HCID114942

Titanium(4+)

Ti+4

HCID136559

3-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenone

C9H4F6O

HCID498716

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(C(c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1

HCID86649627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29077b58f0244be4a553f15bbd965a28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:28]([BH3-:29])#[N:30].[C:32](=[O:33])([OH:34])[O-:35].[CH3:40][OH:41].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl-:42].[Cl-:44].[Cl-:45].[Cl-:46].[Cl:37][CH2:38][Cl:39].[F:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)([F:15])[F:16].[NH:17]1[CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:26][CH2:27]1.[Na+:31].[Na+:36].[Ti+4:43]>>[F:1][C:2]([CH:3]([c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)[N:17]1[CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:26][CH2:27]1)([F:15])[F:16]