HRID96472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

结构：CCCC(CCC)N(CCc1ccc(C(F)(F)F)cc1Br)C(=O)OC

HCID68474453

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)N1CCc2c(Br)cc(C(F)(F)F)cc2C1=O

HCID68474775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f57a2e765c3f465086e8d8baaff4ba5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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