HRID813310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID16028

Tetrabutylammonium

C16H36N+

HCID4712689

未命名化合物

结构：CC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CO1

HCID10149314

N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-methyloxirane-2-carboxamide

C12H9F3N2O2

PRODUCTS

生成物

结构：CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1

HCID2375

Bicalutamide

C18H14F4N2O4S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c01b68d4392d42169414804bf79b8e21
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

[Br-:36].[C:1](#[N:2])[c:3]1[c:4]([C:16]([F:17])([F:18])[F:19])[cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]2([CH3:15])[O:13][CH2:14]2)[cH:7][cH:8]1.[CH3:37][CH2:38][CH2:39][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].[CH:31]([Cl:32])([Cl:33])[Cl:34].[F:20][c:21]1[cH:22][cH:23][c:24]([S:27](=[O:28])[O-:29])[cH:25][cH:26]1.[Na+:30].[OH2:35]>>[C:1](#[N:2])[c:3]1[c:4]([C:16]([F:17])([F:18])[F:19])[cH:5][c:6]([NH:9][C:10](=[O:11])[C:12]([OH:13])([CH2:14][S:27]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)(=[O:28])=[O:29])[CH3:15])[cH:7][cH:8]1