HRID157690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID104967

Cesium(1+)

Cs+

2 次

HCID587203

3,4-Difluorobenzonitrile

C7H3F2N

HCID57421314

未命名化合物

PRODUCTS

产物

HCID25210582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b6b981430a794d6f9a4e300f6581e123
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

[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[Cs+:39].[Cs+:40].[F:25][c:26]1[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32][c:33]1[F:34].[OH2:53]>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19](=[O:23])[n:20]([CH3:22])[cH:21]2)[CH3:24])[cH:4][cH:5][c:6]([O:8][c:33]2[c:26]([F:25])[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]2)[cH:7]1