HRID813536

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

HCID1061

Phosphate

O4P-3

HCID105144

Palladium(2+)

Pd+2

HCID45158880

[2-(Trifluoromethyl)pyridin-4-yl]boronic acid

C6H5BF3NO2

结构：CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(Cl)c(C)c3)nc2)CC1

HCID58447745

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(NC(=O)Cc3cnc(-c4ccnc(C(F)(F)F)c4)c(C)c3)nc2)CC1

HCID46927436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c661ee58f8d4187a6b0f6dc0a66fc55
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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