HRID88843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID415812

未命名化合物

HCID66990627

未命名化合物

PRODUCTS

产物

HCID66990571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ee784941de754ca08b759e13ef0e4f81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][c:26]1[c:27]([C:28](=[O:29])[NH:30][c:31]2[c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38][c:39](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[cH:40]2)[cH:47][c:48]([O:51][CH2:52][CH2:53][Br:54])[cH:49][cH:50]1.[CH2:9]([CH2:10][CH3:11])[N:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[CH3:55][C:56](=[O:57])[CH3:58].[ClH:7].[ClH:8].[K+:5].[K+:6]>>[CH2:9]([CH2:10][CH3:11])[N:12]1[CH2:13][CH2:14][N:15]([CH2:53][CH2:52][O:51][c:48]2[cH:47][c:27]([C:28](=[O:29])[NH:30][c:31]3[c:32]([C:33](=[O:34])[O:35][CH3:36])[cH:37][cH:38][c:39](-[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:40]3)[c:26]([O:25][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:50][cH:49]2)[CH2:16][CH2:17]1