HRID189042

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID98333

2-(Bromomethyl)-1,4-benzodioxane

C9H9BrO2

HCID3020006

5-Chloro-1,3-dihydro-1-(4-piperidinyl)-1H-benzimidazole-2-thione

C12H14ClN3S

PRODUCTS

生成物

结构：S=c1[nH]c2cc(Cl)ccc2n1C1CCN(CC2COc3ccccc3O2)CC1

HCID13084430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eb183f9711d45d49f40ff1d8d87f41b
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: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.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:13][c:14]1[cH:15][c:16]2[c:17]([n:18]([CH:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[c:19](=[S:21])[nH:20]2)[cH:28][cH:29]1.[I-:38].[Na+:37]>>[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:25]1[CH2:24][CH2:23][CH:22]([n:18]2[c:17]3[c:16]([cH:15][c:14]([Cl:13])[cH:29][cH:28]3)[nH:20][c:19]2=[S:21])[CH2:27][CH2:26]1