HRID118809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID90290

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

HCID178514990

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCCN2C(=O)c3ccccc3C2=O)cs1

HCID59758813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2f4861e2d58407794a4566fecbc8262
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:21](=[O:22])([O-:23])[O-:24].[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32]([C:33]([CH3:34])([CH3:35])[Br:36])=[O:37].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[K+:25].[K+:26].[SH:1][c:2]1[s:3][cH:4][c:5]([CH2:7][CH2:8][CH2:9][N:10]2[C:11](=[O:20])[c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[C:14]2=[O:15])[n:6]1>>[S:1]([c:2]1[s:3][cH:4][c:5]([CH2:7][CH2:8][CH2:9][N:10]2[C:11](=[O:20])[c:12]3[c:13]([cH:16][cH:17][cH:18][cH:19]3)[C:14]2=[O:15])[n:6]1)[C:33]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:37])([CH3:34])[CH3:35]