HRID202450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

2 次

HCID166653

Hydride

H-

HCID12954807

4-(Bromomethyl)-2-chloropyridine

C6H5BrClN

结构：CC1(C)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

HCID13268067

5,5-Dimethyl-3-[4-(trifluoromethoxy)phenyl]imidazolidine-2,4-dione

C12H11F3N2O3

PRODUCTS

生成物

结构：CC1(C)C(=O)N(c2ccc(OC(F)(F)F)cc2)C(=O)N1Cc1ccnc(Cl)c1

HCID59694246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffa68530c93a48d2ad6ee1b71cf94bc5
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

[C:40](#[N:41])[CH3:42].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[CH3:37][C:38]#[N:39].[CH3:3][C:4]1([CH3:22])[C:5](=[O:21])[N:6]([c:10]2[cH:11][cH:12][c:13]([O:16][C:17]([F:18])([F:19])[F:20])[cH:14][cH:15]2)[C:7](=[O:9])[NH:8]1.[Cl:23][c:24]1[n:25][cH:26][cH:27][c:28]([CH2:30][Br:31])[cH:29]1.[H-:1].[Na+:2].[OH2:43].[OH2:44]>>[CH3:3][C:4]1([CH3:22])[C:5](=[O:21])[N:6]([c:10]2[cH:11][cH:12][c:13]([O:16][C:17]([F:18])([F:19])[F:20])[cH:14][cH:15]2)[C:7](=[O:9])[N:8]1[CH2:30][c:28]1[cH:27][cH:26][n:25][c:24]([Cl:23])[cH:29]1