HRID169370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID8078

Cyclohexane

C6H12

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID75312

Tetrabutylphosphonium

C16H36P+

HCID2772144

3-(1-Piperazinyl)-1,2-benzisothiazole

C11H13N3S

HCID10609474

6-Chloro-5-(2-chloroethyl)-1,3-dihydro-2H-indol-2-one

C10H9Cl2NO

PRODUCTS

生成物

结构：O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1

HCID60854

Ziprasidone

C21H21ClN4OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8067d1f295a844c792222e06c3a70c7d
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

[Br-:38].[CH2:39]([P+:40]([CH2:41][CH2:42][CH2:43][CH3:44])([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH2:57]1[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62]1.[Cl:1][CH2:2][CH2:3][c:4]1[cH:5][c:6]2[c:10]([cH:11][c:12]1[Cl:13])[NH:9][C:8](=[O:14])[CH2:7]2.[I-:37].[N:15]1([c:21]2[n:22][s:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[Na+:30].[Na+:31].[Na+:36].[O-:32][C:33](=[O:34])[O-:35].[OH2:56]>>[CH2:2]([CH2:3][c:4]1[cH:5][c:6]2[c:10]([cH:11][c:12]1[Cl:13])[NH:9][C:8](=[O:14])[CH2:7]2)[N:18]1[CH2:17][CH2:16][N:15]([c:21]2[n:22][s:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[CH2:20][CH2:19]1