HRID1544617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

HCID104967

Cesium(1+)

Cs+

2 次

HCID2736954

3,4-Difluorobenzyl chloride

C7H5ClF2

结构：CC(C)(C)OC(=O)CCC(C(N)=O)N1Cc2c(O)cccc2C1=O

HCID67336544

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCC(C(N)=O)N1Cc2c(OCc3ccc(F)c(F)c3)cccc2C1=O

HCID67335690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b7465c7c4ca46e5962dbbf6b849b92e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH:9]([N:10]1[C:11](=[O:20])[c:12]2[cH:13][cH:14][cH:15][c:16]([OH:19])[c:17]2[CH2:18]1)[C:21]([NH2:22])=[O:23])=[O:24].[C:34](=[O:35])([O-:36])[O-:37].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:40][CH2:41][c:42]1[cH:43][c:44]([F:49])[c:45]([F:48])[cH:46][cH:47]1.[Cs+:38].[Cs+:39].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH:9]([N:10]1[C:11](=[O:20])[c:12]2[cH:13][cH:14][cH:15][c:16]([O:19][CH2:41][c:42]3[cH:43][c:44]([F:49])[c:45]([F:48])[cH:46][cH:47]3)[c:17]2[CH2:18]1)[C:21]([NH2:22])=[O:23])=[O:24]