HRID2326751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

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

HCID5591

Troglitazone

C24H27NO5S

HCID19660

Carbonate

CO3-2

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

PRODUCTS

产物

反应SMILES：Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)N(CC(=O)OC(C)(C)C)C3=O)cc1)O2

HCID19822185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f138cc98e33448298d348033bc81b968
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

[Br:38][CH2:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46].[C:32](=[O:33])([O-:34])[O-:35].[CH3:47][C:48](=[O:49])[CH3:50].[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]([CH2:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46])[C:25](=[O:27])[S:26]3)[cH:29][cH:30]1)[CH2:6][CH2:5]2