HRID2321358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

2 次

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID98333

2-(Bromomethyl)-1,4-benzodioxane

C9H9BrO2

HCID14048946

N-(4-Piperidinylmethyl)-2-benzothiazolamine

C13H17N3S

PRODUCTS

生成物

结构：c1ccc2c(c1)OCC(CN1CCC(CNc3nc4ccccc4s3)CC1)O2

HCID128556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b68c504b1614115aa7fd12689e25f19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[O:8]1.[BrH:13].[BrH:14].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[I-:39].[NH:15]1[CH2:16][CH2:17][CH:18]([CH2:21][NH:22][c:23]2[s:24][c:25]3[c:26]([n:27]2)[cH:28][cH:29][cH:30][cH:31]3)[CH2:19][CH2:20]1.[Na+:32].[Na+:33].[Na+:38].[O-:34][C:35](=[O:36])[O-:37].[OH2:40]>>[CH2:2]([CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[O:8]1)[N:15]1[CH2:16][CH2:17][CH:18]([CH2:21][NH:22][c:23]2[s:24][c:25]3[c:26]([n:27]2)[cH:28][cH:29][cH:30][cH:31]3)[CH2:19][CH2:20]1