HRID813315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID31374

Dimethylacetamide

C4H9NO

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCO)c1

HCID122044

Ro 46-2005

C23H27N3O6S

HCID166653

Hydride

H-

HCID606665

5-Bromo-2-chloropyrimidine

C4H2BrClN2

PRODUCTS

生成物

结构：COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)c1

HCID11006709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6c4f92593fd4749a7ffd38165b6ad86
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:36][c:37]1[cH:38][n:39][c:40]([Cl:43])[n:41][cH:42]1.[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[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][OH:33])[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH3:46][C:47]([N:48]([CH3:49])[CH3:50])=[O:51].[Cl-:44].[H-:34].[NH4+:45].[Na+:35]>>[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[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][O:33][c:40]3[n:39][cH:38][c:37]([Br:36])[cH:42][n:41]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1