HRID94658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104735

Compound 48-80

C10H15NO

结构：Cc1ccc(S(=O)(=O)OCCN2c3ccccc3COc3ccccc32)cc1

HCID18625589

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCN(C)CCN2c3ccccc3COc3ccccc32)cc1

HCID18625592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64a20c2529734bf0a19f8971676db4a3
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

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