HRID98424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID20260334

1-Chloroethyl octanoate

C10H19ClO2

结构：CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O

HCID54676228

Piroxicam

C15H13N3O4S

PRODUCTS

生成物

结构：CCCCCCCC(=O)OC(C)OC1=C(C(=O)Nc2ccccn2)N(C)S(=O)(=O)c2ccccc21

HCID13506654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a705a4628074edeaa95bc2951e1f236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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