HRID319708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID4574913

未命名化合物

HCID16108974

4-(2-Chloropyridin-3-yl)pyrimidine

C9H6ClN3

HCID19783159

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C(F)(F)F)c(Nc2ncccc2-c2ccncn2)c1

HCID66970285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aae1d531360432f92fb1593f6f0bb1a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][cH:10][n:11][cH:12][cH:13]1.[NH2:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:23][cH:24][c:25]1[C:26]([F:27])([F:28])[F:29].[Na+:35].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[Pd+2:49]>>[c:2]1([NH:14][c:15]2[cH:16][c:17]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:23][cH:24][c:25]2[C:26]([F:27])([F:28])[F:29])[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][cH:10][n:11][cH:12][cH:13]1