HRID667367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID792201

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CN2CCC1CC2)c1cccc(NS(=O)(=O)c2ccccc2)c1

HCID18928965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07547fa00fc64fb5b6199d41680da70f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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