HRID2340456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6569

Methyl ethyl ketone

C4H8O

HCID7841

Allyl bromide

C3H5Br

HCID19660

Carbonate

CO3-2

反应SMILES：CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3O)nc12

HCID135565516

O-Desethyl sildenafil

C20H26N6O4S

PRODUCTS

产物

反应SMILES：C=CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1

HCID135544156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2fae74a7954f4338a580e498275c670d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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