HRID2143726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID2772144

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

C11H13N3S

2 次

HCID10779094

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

反应SMILES：CC1SC(C)(C)C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1

HCID10811983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3752b2c9b5164174971fa116d4292603
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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