HRID125219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate Ion

CO3-2

HCID18957717

未命名化合物

HCID18957751

未命名化合物

PRODUCTS

产物

HCID2099

Alosetron

C17H18N4O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c18642514b37478c8bd6cc4a96fd0ca7
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

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