HRID209717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID4293995

3-[(Diethoxyphosphoryl)oxy]-1,2,3-benzotriazin-4(3H)-one

C11H14N3O5P

HCID10726887

1-BENZOYL-3-METHYLPIPERAZINE

C12H16N2O

结构：O=C([O-])C(=O)c1c[nH]c2c(Cl)ncc(F)c12

HCID178525970

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(Cl)ncc(F)c12

HCID18009124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d188e55bb2b424ab066631f32862b57
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

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