HRID1239065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID7504

Benzylamine

C7H9N

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1

HCID53255497

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(NCc3ccccc3)c2[N+](=O)[O-])CC1

HCID57834969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e13c0ec2cc5640f2a7cd14fb0bc18824
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][N:11]([c:14]2[c:15]([N+:21](=[O:22])[O-:23])[c:16]([F:20])[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][S:39]([CH3:40])=[O:41].[K+:36].[K+:37].[NH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([N+:21](=[O:22])[O-:23])[c:16]([NH:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:17][cH:18][cH:19]2)[CH2:12][CH2:13]1