HRID205451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID2782670

2-Chloro-5-(trifluoromethyl)phenylboronic acid

C7H5BClF3O2

HCID53415197

N-(5-Bromopyrazin-2-yl)-2,6-difluorobenzamide

C11H6BrF2N3O

PRODUCTS

生成物

结构：O=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cccc1F

HCID11546102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7adfa222f4ea43a08f3dc152e5b5b9fe
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

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