HRID315030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID9859628

Ethyl 2-butyl-5-methylsulfanyl-3H-imidazole-4-carboxylate

C11H18N2O2S

结构：CN(C)C=NS(=O)(=O)c1cccc(-c2ccc(CBr)cc2)c1

HCID70143939

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(SC)c(C(=O)OCC)n1Cc1ccc(-c2cccc(S(=O)(=O)N=CN(C)C)c2)cc1

HCID70143920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab1261066a884eb5b003fc45f8dcc82b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:23]([CH2:24][CH2:25][CH3:26])[c:27]1[n:28][c:29]([S:37][CH3:38])[c:30]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[nH:31]1.[CH3:1][N:2]([CH3:3])[CH:4]=[N:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]([CH2:21][Br:22])[cH:19][cH:20]2)[cH:12][cH:13][cH:14]1.[K+:39].[K+:40].[Na+:49].[O-:41][C:42]([O-:43])=[O:44].[O-:45][C:46]([OH:47])=[O:48].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55]>>[CH3:1][N:2]([CH3:3])[CH:4]=[N:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][cH:17][c:18]([CH2:21][n:31]3[c:27]([CH2:23][CH2:24][CH2:25][CH3:26])[n:28][c:29]([S:37][CH3:38])[c:30]3[C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:19][cH:20]2)[cH:12][cH:13][cH:14]1