HRID799918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID3776

Isopropanol

C3H8O

HCID8082

Piperidine

C5H11N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID849421

R-56109

C12H13FN2O

HCID2763079

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

C11H15ClN2O

PRODUCTS

生成物

结构：Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2

HCID5073

Risperidone

C23H27FN4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b63067790cd64d029afb442bec62b90c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[CH:47]([OH:48])([CH3:49])[CH3:50].[Cl:16].[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.[F:17][c:18]1[cH:19][c:20]2[c:21]([c:22]([CH:25]3[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[n:23][o:24]2)[cH:31][cH:32]1.[I-:46].[K+:45].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[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:28]1[CH2:27][CH2:26][CH:25]([c:22]2[c:21]3[c:20]([cH:19][c:18]([F:17])[cH:32][cH:31]3)[o:24][n:23]2)[CH2:30][CH2:29]1