HRID2326515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID73949

2-Oxazolidinone

C3H5NO2

HCID166653

Hydride

H-

结构：Cn1cnc2c(C#N)nc(-c3ccc(OCCOS(C)(=O)=O)c(C(F)(F)F)c3)cc21

HCID57657560

未命名化合物

PRODUCTS

生成物

结构：Cn1cnc2c(C#N)nc(-c3ccc(OCCN4CCOC4=O)c(C(F)(F)F)c3)cc21

HCID57657539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef7691919b3a4aaf97a91ec6e96dce46
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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