HRID1224066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

结构：Cc1ccc(S(=O)(=O)OCCc2ccc([N+](=O)[O-])cc2)cc1

HCID244774

4-NITROPHENETHYL TOSYLATE

C15H15NO5S

HCID2772144

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

C11H13N3S

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1

HCID21963267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ded72a104044a3b8a99b3dad5272c89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:63][C:64](=[O:65])[CH3:66].[ClH:7].[K+:5].[K+:6].[N:8]1([c:14]2[n:15][s:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[O:23]([S:24]([c:25]1[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]1)(=[O:32])=[O:33])[CH2:34][CH2:35][c:36]1[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50][O:51][CH2:52][CH2:53][O:54][CH2:55][CH2:56][O:57][CH2:58][CH2:59][O:60][CH2:61][CH2:62]1>>[N:8]1([c:14]2[n:15][s:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[CH2:9][CH2:10][N:11]([CH2:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([N+:42](=[O:43])[O-:44])[cH:40][cH:41]2)[CH2:12][CH2:13]1