HRID675838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID10420152

5-Methoxy-4-(piperazin-1-yl)pyrimidine

C9H14N4O

结构：CS(=O)(=O)NCc1ccc2[nH]cc(CCCCS(=O)(=O)[O-])c2c1

HCID19921634

未命名化合物

PRODUCTS

生成物

结构：COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(CNS(C)(=O)=O)cc23)CC1

HCID44479892

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeb26e2bc5d64a568fc69bc6aaf3c0b6
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

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