HRID1206440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7892

2-Methylpentane

C6H14

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID44119554

[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]boronic acid

C11H16BNO5S

HCID46738202

5-Bromo-3-chloropyrazin-2-amine

C4H3BrClN3

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1cnc(N)c(Cl)n1

HCID86634554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4255af5ee205478ca17d519a14b4fa3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([Cl:9])[c:5]([NH2:8])[n:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:10][c:11]1[c:12]([B:26]([OH:27])[OH:28])[cH:13][c:14]([S:17](=[O:18])(=[O:19])[N:20]2[CH2:21][CH2:22][O:23][CH2:24][CH2:25]2)[cH:15][cH:16]1.[CH3:35][CH2:36][CH2:37][CH:38]([CH3:39])[CH3:40].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Cl:41][CH2:42][Cl:43].[Na+:33].[Na+:34]>>[c:2]1(-[c:12]2[c:11]([CH3:10])[cH:16][cH:15][c:14]([S:17](=[O:18])(=[O:19])[N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:13]2)[n:3][c:4]([Cl:9])[c:5]([NH2:8])[n:6][cH:7]1