HRID2327144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID58224164

未命名化合物

HCID67357073

2-(Chloromethyl)-6-(trifluoromethyl)pyridine

C7H5ClF3N

PRODUCTS

生成物

结构：O=C1N(Cc2cccc(C(F)(F)F)n2)c2ccccc2C12COc1cc3c(cc12)OCCO3

HCID59352184

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62e8c70055594ad5995c2fc798deeb0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:23](=[O:24])([O-:25])[O-:26].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:29][CH2:30][c:31]1[n:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]1.[Cs+:27].[Cs+:28].[NH:1]1[C:2](=[O:22])[C:3]2([CH2:4][O:5][c:6]3[cH:7][c:8]4[c:9]([cH:14][c:15]32)[O:10][CH2:11][CH2:12][O:13]4)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21.[OH2:46]>>[N:1]1([CH2:30][c:31]2[n:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[C:2](=[O:22])[C:3]2([CH2:4][O:5][c:6]3[cH:7][c:8]4[c:9]([cH:14][c:15]32)[O:10][CH2:11][CH2:12][O:13]4)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21