HRID2330768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID2763079

3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one

C11H15ClN2O

HCID57352713

Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime

C12H14F2N2O

PRODUCTS

生成物

结构：Cc1nc2n(c(=O)c1CCN1CCC(C(=NO)c3ccc(F)cc3F)CC1)CCCC2

HCID71433889

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bf402dbb368450db32b7979658bcbd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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