HRID181163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID15020358

4-[(4-Fluorophenyl)(phenyl)methylidene]piperidine

C18H18FN

HCID178432280

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1nc2c(C#N)ncn2c(O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1

HCID178432281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-134243df63a64d12a13a400628c7639a
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

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