HRID666477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

结构：CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCO

HCID132981

RU 58841

C17H18F3N3O3

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCCCOCc1ccccc1

HCID22116909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-322862a736924885b7be95e7f263c0ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:3][C:4]1([CH3:28])[N:5]([CH2:23][CH2:24][CH2:25][CH2:26][OH:27])[C:6](=[O:22])[N:7]([c:10]2[cH:11][c:12]([C:18]([F:19])([F:20])[F:21])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C:8]1=[O:9].[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[H-:1].[I-:48].[K+:42].[Na+:2].[P:37]([OH:38])([OH:39])([O-:40])=[O:41]>>[CH3:3][C:4]1([CH3:28])[N:5]([CH2:23][CH2:24][CH2:25][CH2:26][O:27][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:6](=[O:22])[N:7]([c:10]2[cH:11][c:12]([C:18]([F:19])([F:20])[F:21])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C:8]1=[O:9]