HRID179508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

3 次

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID123618

Tecastemizole

C19H21FN4

HCID11066074

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2scc(C)n2c(=O)c1CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID13983078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f4cfb32d47145ac88e06d3d72dabb29
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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