HRID1121738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2756555

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C11H17BN2O2

HCID76561900

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc(N)nc2)n1

HCID68155726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13b7c5489207401282dfdc2daa4117ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([c:29]2[cH:30][cH:31][c:32]([NH2:35])[n:33][cH:34]2)[O:36]1.[CH3:48][CH2:49][OH:50].[Cl:1][c:2]1[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:20]>>[c:2]1(-[c:29]2[cH:30][cH:31][c:32]([NH2:35])[n:33][cH:34]2)[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1