HRID1123428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID904

N-Acetylaminobenzene

C8H9NO

HCID1061

Phosphate

O4P-3

HCID61668

Boronic acid

H3BO2

HCID105144

Palladium(2+)

Pd+2

HCID21081668

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(-c2ccn3ncnc(Oc4ccc(N)cc4F)c23)c1

HCID21081735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a169828fab143288eea3df5597a473a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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