HRID95110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID166653

Hydride

H-

结构：COC(=O)C1(CO)CCC(c2ccc(OCc3ccccc3F)c(OC)c2)N1C(=O)OC(C)(C)C

HCID178498964

未命名化合物

PRODUCTS

生成物

结构：COCC1(C(=O)OC)CCC(c2ccc(OCc3ccccc3F)c(OC)c2)N1C(=O)OC(C)(C)C

HCID178494628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e8de1bdbbfd468c8311a2f853b5cf8a
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

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