HRID98822

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

HCID67709

1,1,1-Trifluoro-2-iodoethane

C2H2F3I

HCID104967

Cesium(1+)

Cs+

2 次

结构：COc1cc(OC)c(CN2CC(=O)Nc3ccccc3C2=O)c(OC)c1

HCID21955767

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(CN2CC(=O)N(CC(F)(F)F)c3ccccc3C2=O)c(OC)c1

HCID21955651

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d65fa76bc934ba5b33c767febf575e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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