HRID167854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID24813

Phosphoric trichloride

Cl3OP

结构：CC(C)(C)c1cc(-c2cn3c(n2)SCC3)cc(C(C)(C)C)c1O

HCID13173170

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(-c2nc3n(c2C=O)CCS3)cc(C(C)(C)C)c1O

HCID13173177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3065046533c746449b03218389837f17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:11]([CH3:12])([CH3:13])([CH3:14])[c:15]1[cH:16][c:17](-[c:26]2[n:27][c:28]3[n:32]([cH:33]2)[CH2:31][CH2:30][S:29]3)[cH:18][c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:20]1[OH:21].[C:34](=[O:35])([O-:36])[O-:37].[CH3:1][N:2]([CH:3]=[O:4])[CH3:5].[CH:40]([Cl:41])([Cl:42])[Cl:43].[K+:38].[K+:39].[P:6]([Cl:7])([Cl:8])([Cl:9])=[O:10]>>[CH:3](=[O:4])[c:33]1[c:26](-[c:17]2[cH:16][c:15]([C:11]([CH3:12])([CH3:13])[CH3:14])[c:20]([OH:21])[c:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:18]2)[n:27][c:28]2[n:32]1[CH2:31][CH2:30][S:29]2