HRID178196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5943

Carbon tetrachloride

CCl4

HCID6547

Azobisisobutyronitrile

C8H12N4

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID82115

Silanecarbonitrile, trimethyl-

C4H9NSi

HCID34175419

4-Bromo-2-fluoro-5-methylbenzonitrile

C8H5BrFN

PRODUCTS

生成物

HCID68506530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60ec3aae96c545e6a31143467ca95a2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5]([C:6]#[N:7])[cH:8][c:9]1[CH3:10].[CH2:39]([N+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:32][Si:33]([C:34]#[N:35])([CH3:36])[CH3:37].[Cl:56][C:57]([Cl:58])([Cl:59])[Cl:60].[F-:38].[N:12]#[C:13][C:14]([N:15]=[N:16][C:17]([C:18]#[N:19])([CH3:20])[CH3:21])([CH3:22])[CH3:23].[O:24]=[C:25]1[N:26]([Br:27])[C:28](=[O:29])[CH2:30][CH2:31]1.[OH2:61]>>[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5]([C:6]#[N:7])[cH:8][c:9]1[CH2:10][C:13]#[N:12]