HRID2339099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID22417172

6-Oxa-9-azaspiro[4.5]decane

C8H15NO

结构：O=S(=O)(c1ccccc1)n1ncc2c(-c3nnc(CCl)o3)cc(Br)cc21

HCID66695668

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1ncc2c(-c3nnc(CN4CCOC5(CCCC5)C4)o3)cc(Br)cc21

HCID66692153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a99a34e5a4a6485da74f1bd125cfee92
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][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][Cl:26])[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1.[CH2:27]1[CH2:28][CH2:29][CH2:30][C:31]12[O:32][CH2:33][CH2:34][NH:35][CH2:36]2.[CH3:48][C:49]#[N:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:51][CH2:52][Cl:53].[I-:47].[Na+:46]>>[Br:1][c:2]1[cH:3][c:4](-[c:20]2[o:21][c:22]([CH2:25][N:35]3[CH2:34][CH2:33][O:32][C:31]4([CH2:27][CH2:28][CH2:29][CH2:30]4)[CH2:36]3)[n:23][n:24]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:9]2[cH:10]1