HRID1145712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID17750681

2-(Bromomethyl)-1-chloro-3-(trifluoromethyl)benzene

C8H5BrClF3

结构：CC1CNCC1(CC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

HCID178430220

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2c(Cl)cccc2C(F)(F)F)CC1(CC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1

HCID178430392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce922f7e19024843b9220ba070d99b59
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:1][CH2:2][c:3]1[c:4]([Cl:13])[cH:5][cH:6][cH:7][c:8]1[C:9]([F:10])([F:11])[F:12].[C:14](=[O:15])([O-:16])[O-:17].[C:20]([CH3:21])([CH3:22])([CH3:23])[O:24][C:25]([CH2:26][C:27]1([C:33](=[O:34])[NH:35][CH:36]2[CH2:37][CH2:38][N:39]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:40][CH2:41]2)[CH2:28][NH:29][CH2:30][CH:31]1[CH3:32])=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[K+:18].[K+:19]>>[CH2:2]([c:3]1[c:4]([Cl:13])[cH:5][cH:6][cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:29]1[CH2:28][C:27]([CH2:26][C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:49])([C:33](=[O:34])[NH:35][CH:36]2[CH2:37][CH2:38][N:39]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:40][CH2:41]2)[CH:31]([CH3:32])[CH2:30]1