HRID155471

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 Ion

CO3-2

HCID30165

Iodide ion

I-

HCID817872

6-(2-chloroethyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one

C9H9ClN2OS

HCID2724436

4-(Bis(4-fluorophenyl)methylene)piperidine

C18H17F2N

PRODUCTS

产物

HCID5074

Ritanserin

C27H25F2N3OS

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1b41bd202b5448198266a6b95072d316
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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