HRID677007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID30165

Iodide ion

I-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID2773502

Methyl 2-bromothiazole-5-carboxylate

C5H4BrNO2S

HCID53630274

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)s1

HCID60032149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23965b11e3ee4ba599a249794495081b
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

[Br:14][c:15]1[s:16][c:17]([C:20](=[O:21])[O:22][CH3:23])[cH:18][n:19]1.[C:24]1([C:25]2=[CH:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]2)=[N:45][NH:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]1.[CH3:49][S:50]([CH3:51])=[O:52].[ClH:48].[I-:47].[K+:46].[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[OH2:53]>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([c:15]2[s:16][c:17]([C:20](=[O:21])[O:22][CH3:23])[cH:18][n:19]2)[CH2:5][CH2:6]1