HRID666321

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2794605

2-(bromomethyl)-5-(trifluoromethyl)furan

C6H4BrF3O

结构：CC1(C)COc2cc3c(cc21)C1(CO3)C(=O)Nc2ccccc21

HCID59263470

未命名化合物

PRODUCTS

生成物

结构：CC1(C)COc2cc3c(cc21)C1(CO3)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2ccccc21

HCID59263341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6453a21d6d534df3a5fb0713e29b21f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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