HRID687218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7943

Dimethyl malonate

C5H8O4

HCID166653

Hydride

H-

结构：CC1(C)CCN(S(=O)(=O)c2cc(Br)c(Cl)cc2F)c2ccccc21

HCID68469273

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C(=O)OC)c1cc(Cl)c(Br)cc1S(=O)(=O)N1CCC(C)(C)c2ccccc21

HCID68469171

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d2a295957e849fda4cba9ffac876491
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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