HRID817829

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID10476

Cyanogen bromide

CBrN

结构：COC(c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1

HCID58968615

未命名化合物

PRODUCTS

生成物

结构：COC(c1ccc(C(F)(F)F)cc1CN(C#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCCC1

HCID86615050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6719afaad9454b6986d0470f102a7851
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:40][C:41]#[N:42].[CH3:43][OH:44].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][NH:11][CH2:12][c:13]3[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[O:35][CH3:36])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[N:37]#[C:38][Br:39]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:10][N:11]([CH2:12][c:13]3[cH:14][c:15]([C:23]([F:24])([F:25])[F:26])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]3)[C:38]#[N:37])[cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]2)[O:35][CH3:36])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1