HRID148909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID14928877

Butanoic acid, 4-bromo-2,2-dimethyl-, methyl ester

C7H13BrO2

结构：CC(=O)N(c1ccc(Cl)cc1)C1CC(C)N(C(=O)c2ccc(O)c(F)c2)c2ccccc21

HCID68923681

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)CCOc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccc(Cl)cc3)CC2C)cc1F

HCID68919063

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18601ffc62cc42e082ba3cf8ff5f6b01
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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