HRID1205570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID79341

Piperidin-4-ol

C5H11NO

结构：COc1cc2c(-c3cc4c(CCl)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67147535

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(-c3cc4c(CN5CCC(O)CC5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC

HCID67147845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c315858e15da41e88639a5eec6587632
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:8](=[O:9])([O-:10])[O-:11].[CH3:51][C:52]#[N:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:16][CH2:17][c:18]1[c:19]2[c:20]([n:21][cH:22][cH:23]1)[n:24]([S:41](=[O:42])(=[O:43])[c:44]1[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]1)[c:25](-[c:27]1[cH:28][n:29]([CH3:40])[c:30]3[cH:31][c:32]([O:38][CH3:39])[c:33]([O:36][CH3:37])[cH:34][c:35]13)[cH:26]2.[I-:15].[K+:12].[K+:13].[NH:1]1[CH2:2][CH2:3][CH:4]([OH:7])[CH2:5][CH2:6]1.[Na+:14].[OH2:54]>>[N:1]1([CH2:17][c:18]2[c:19]3[c:20]([n:21][cH:22][cH:23]2)[n:24]([S:41](=[O:42])(=[O:43])[c:44]2[cH:45][cH:46][c:47]([CH3:50])[cH:48][cH:49]2)[c:25](-[c:27]2[cH:28][n:29]([CH3:40])[c:30]4[cH:31][c:32]([O:38][CH3:39])[c:33]([O:36][CH3:37])[cH:34][c:35]24)[cH:26]3)[CH2:2][CH2:3][CH:4]([OH:7])[CH2:5][CH2:6]1