HRID174949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

结构：Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

HCID5591

Troglitazone

C24H27NO5S

HCID6340

Ethane, iodo-

C2H5I

HCID19660

Carbonate

CO3-2

PRODUCTS

生成物

结构：CCN1C(=O)SC(Cc2ccc(OCC3(C)CCc4c(C)c(O)c(C)c(C)c4O3)cc2)C1=O

HCID19822285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a4d3d7909a9487e9a6e046af04e1869
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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