HRID838421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11423

Benzenamine, 4-bromo-2-methyl-

C7H8BrN

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2733548

Bis(pinacolato)diboron

C12H24B2O4

HCID76561900

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3C)n2)ccc1N

HCID178423397

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59a77bc18c2f4233a58443ea40889af4
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][c:4]([CH3:9])[c:5]([NH2:6])[cH:7][cH:8]1.[CH2:58]1[O:59][CH2:60][CH2:61][O:62][CH2:63]1.[CH3:11][C:12](=[O:13])[O-:14].[CH3:15][C:16]1([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21][B:22]([B:23]2[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]2)[O:32]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:71][CH2:72][OH:73].[Cl:33][c:34]1[n:35][c:36]([CH2:47][S:48](=[O:49])(=[O:50])[CH3:51])[cH:37][c:38]([N:40]2[CH:41]([CH3:46])[CH2:42][O:43][CH2:44][CH2:45]2)[n:39]1.[K+:10].[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[OH2:70]>>[c:2]1(-[c:34]2[n:35][c:36]([CH2:47][S:48](=[O:49])(=[O:50])[CH3:51])[cH:37][c:38]([N:40]3[CH:41]([CH3:46])[CH2:42][O:43][CH2:44][CH2:45]3)[n:39]2)[cH:3][c:4]([CH3:9])[c:5]([NH2:6])[cH:7][cH:8]1