HRID1213067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID67709

1,1,1-Trifluoro-2-iodoethane

C2H2F3I

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1

HCID18695962

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(n2c(=O)n(CC(F)(F)F)c3cc(F)ccc32)CC1

HCID18695964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-042c2793edb941dab3c5f6cbe091cc7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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