HRID1213849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID59321836

1,1-Dimethylethyl 4-(2-chloro-3-pyridinyl)-1-piperazinecarboxylate

C14H20ClN3O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccnc2-c2ccc(F)cc2)CC1

HCID68722827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a71e74dddb747659cf7ea6aacc538c5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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