HRID1147954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID66960

Dimethylaminopropyl chloride

C5H12ClN

反应SMILES：COc1ccc(C2Sc3ccccc3NC(=O)C2O)cc1

HCID3260419

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(C2Sc3ccccc3N(CCCN(C)C)C(=O)C2O)cc1

HCID13344329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a838e4efd7d240cfb4960c50a4a879eb
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:30](=[O:31])([O-:32])[O-:33].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[NH:13][C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:23][N:24]([CH2:25][CH2:26][CH2:27][Cl:28])[CH3:29].[CH3:36][C:37](=[O:38])[CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[ClH:22].[K+:34].[K+:35].[OH2:46]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:18][cH:19][cH:20][cH:21]3)[N:13]([CH2:27][CH2:26][CH2:25][N:24]([CH3:23])[CH3:29])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1