HRID161339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID11801

5-(Dimethylamino)-1-naphthalenesulfonyl chloride

C12H12ClNO2S

HCID166653

Hydride

H-

HCID21785147

5-Bromo-3-methylpyrazin-2-amine

C5H6BrN3

PRODUCTS

生成物

结构：Cc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12

HCID10550094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91bc66aba9a04dd791a29c607d9edd2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:12][N:13]([c:14]1[c:15]2[cH:16][cH:17][cH:18][c:19]([S:24](=[O:25])(=[O:26])[Cl:27])[c:20]2[cH:21][cH:22][cH:23]1)[CH3:28].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[H-:1].[NH2:3][c:4]1[n:5][cH:6][c:7]([Br:11])[n:8][c:9]1[CH3:10].[Na+:2].[OH:29][C:30]([CH2:31][C:32]([C:33](=[O:34])[OH:35])([CH2:36][C:37](=[O:38])[OH:39])[OH:40])=[O:41]>>[NH:3]([c:4]1[n:5][cH:6][c:7]([Br:11])[n:8][c:9]1[CH3:10])[S:24]([c:19]1[cH:18][cH:17][cH:16][c:15]2[c:14]([N:13]([CH3:12])[CH3:28])[cH:23][cH:22][cH:21][c:20]21)(=[O:25])=[O:26]