HRID183189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID82544

2-Chloro-5-nitropyrimidine

C4H2ClN3O2

HCID166653

Hydride

H-

结构：Cc1ccc(-c2c(OCCO)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID22282043

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(OCCOc3ncc([N+](=O)[O-])cn3)nn(C)c2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID22281970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7a6758584654015acfbca0b5545c375
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

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