HRID312851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID22562145

未命名化合物

HCID56924441

1,3-Difluoro-5-methyl-2-nitrobenzene

C7H5F2NO2

PRODUCTS

生成物

结构：Cc1cc(F)c([N+](=O)[O-])c(NC2CCN(C3CCOCC3)CC2)c1

HCID59683262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-742b73f2b2c24c16a04b7cf0172f1654
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:26](=[O:27])([OH:28])[O-:29].[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH3:55][N:56]1[CH2:57][CH2:58][CH2:59][C:60]1=[O:61].[F:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[c:4]([F:9])[cH:5][c:6]([CH3:8])[cH:7]1.[I-:37].[Na+:30].[O:13]1[CH2:14][CH2:15][CH:16]([N:19]2[CH2:20][CH2:21][CH:22]([NH2:25])[CH2:23][CH2:24]2)[CH2:17][CH2:18]1>>[c:2]1([NH:25][CH:22]2[CH2:21][CH2:20][N:19]([CH:16]3[CH2:15][CH2:14][O:13][CH2:18][CH2:17]3)[CH2:24][CH2:23]2)[c:3]([N+:10](=[O:11])[O-:12])[c:4]([F:9])[cH:5][c:6]([CH3:8])[cH:7]1