HRID693587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID2772144

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

C11H13N3S

HCID10611772

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC1(C)SCN(CCCCN2CCN(c3nsc4ccccc34)CC2)C1=O

HCID10668966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87000ba12d864e49b4bdbc65ba3881e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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