HRID91470

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

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID3613184

(4-Boc-Aminophenyl)Boronic Acid

C11H16BNO4

结构：CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(Cl)n1

HCID59380112

未命名化合物

PRODUCTS

生成物

结构：CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)OC(C)(C)C)cc2)n1

HCID59380012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2363053751054154a0751d9f536f86f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH2:50]([CH2:51][O:52][CH3:53])[O:54][CH3:55].[CH3:56][CH2:57][OH:58].[Cl:1][c:2]1[n:3][c:4]([CH2:14][S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:21]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([NH:29][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[cH:35][cH:34]2)[n:3][c:4]([CH2:14][S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1