HRID666613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8002

1-Bromobutane

C4H9Br

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

结构：O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

HCID69036826

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1

HCID69037226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6914141bc9643cfb3e2f606e2d58408
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:35][CH2:36][CH2:37][CH2:38][CH3:39].[C:29](=[O:30])([O-:31])[O-:32].[CH3:40][C:41]([N:42]([CH3:43])[CH3:44])=[O:45].[K+:33].[K+:34].[OH:1][c:2]1[c:3]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1>>[O:1]([c:2]1[c:3]([C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([c:19]3[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]3)[CH2:17][CH2:18]2)[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1)[CH2:36][CH2:37][CH2:38][CH3:39]