HRID1136971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2761197

5-Bromo-2-(trifluoromethyl)pyridine

C6H3BrF3N

结构：CC(C)(C)OC(=O)N1CCC(=Cc2cccc(O)c2)CC1

HCID53485958

1,1-Dimethylethyl 4-[(3-hydroxyphenyl)methylene]-1-piperidinecarboxylate

C17H23NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)nc3)c2)CC1

HCID66875790

1,1-Dimethylethyl 4-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]methylene]-1-piperidinecarboxylate

C23H25F3N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b253116a775748a794ba40e7f2d39a48
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

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