HRID1144918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID16028

Tetrabutylammonium

C16H36N+

HCID33558

Azide

N3-

结构：Cc1ccccc1S(=O)(=O)OCC1(C(F)(F)F)CCN(Cc2ccccc2)C1

HCID86750299

未命名化合物

PRODUCTS

生成物

结构：[N-]=[N+]=NCC1(C(F)(F)F)CCN(Cc2ccccc2)C1

HCID19691439

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e03373c3d6b74a14995770acc0e10b04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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