HRID824318

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1

HCID9938571

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(C=O)cn2)cc1

HCID11028007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94913fcce95e40aba4838db8859a7fcc
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13](-[c:32]3[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]3)[c:14]([NH:18][S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:26][cH:27]3)[n:15][cH:16][n:17]2)[n:6][cH:7]1.[CH2:39]([Li:40])[CH2:41][CH2:42][CH3:43].[CH3:52][CH2:53][CH2:54][CH2:55][CH2:56][CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl-:44].[ClH:46].[NH4+:45].[O:47]1[CH2:48][CH2:51][CH2:50][CH2:49]1>>[c:2]1([CH:48]=[O:47])[cH:3][n:4][c:5]([O:8][CH2:9][CH2:10][O:11][c:12]2[c:13](-[c:32]3[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]3)[c:14]([NH:18][S:19](=[O:20])(=[O:21])[c:22]3[cH:23][cH:24][c:25]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:26][cH:27]3)[n:15][cH:16][n:17]2)[n:6][cH:7]1