HRID1119042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID18358

3-(Chloromethyl)pyridine

C6H6ClN

HCID19660

Carbonate

CO3-2

结构：COc1ccc(S(=O)(=O)NC(C(=O)OC(C)(C)C)C(C)C)cc1

HCID10783604

N-[(4-Methoxyphenyl)sulfonyl]valine 1,1-dimethylethyl ester

C16H25NO5S

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C(=O)OC(C)(C)C)C(C)C)cc1

HCID22907043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7fbfcf11d714b14bfb72c9698fe35f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH:20]([CH3:21])[CH3:22])=[O:23].[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[ClH:24].[K+:37].[K+:38].[OH2:44].[cH:25]1[c:26]([CH2:31][Cl:32])[cH:27][cH:28][cH:29][n:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([N:8]([S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1)[CH2:31][c:26]1[cH:25][n:30][cH:29][cH:28][cH:27]1)[CH:20]([CH3:21])[CH3:22])=[O:23]