HRID1234807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID6342

Acetonitrile

C2H3N

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID77569

alpha-Bromo-2-nitrotoluene

C7H6BrNO2

HCID104967

Cesium(1+)

Cs+

HCID21980306

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(-c2ccc(F)cc2)nc1COC1CCCC(OCc2ccccc2[N+](=O)[O-])C1

HCID58763362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab3473b1663549b9afeb41ab09f54b55
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

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