HRID812743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

结构：CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccc(O)cc3)n2)cc1

HCID178418864

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccc(OCCCN(C)C)cc3)n2)cc1

HCID178419057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85e16724952c437d94be01a668e5cb54
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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