HRID180640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID5333

Sulfanilamide

C6H8N2O2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID547712

1,1-Bis(1,1-dimethylethoxy)-N,N,N-trimethylamine

C11H25NO2

HCID13864095

1,3-Dihydro-2H-pyrrolo[2,3-b]pyridin-2-one

C7H6N2O

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(NC=C2C(=O)Nc3ncccc32)cc1

HCID178514729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d71d3e85495549f9a85fe2d9c0faebc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([O:2][CH:3]([O:4][C:5]([CH3:6])([CH3:7])[CH3:8])[N:9]([CH3:10])[CH3:11])([CH3:12])([CH3:13])[CH3:14].[CH3:36][S:37](=[O:38])(=[O:39])[OH:40].[CH3:51][CH2:52][OH:53].[NH2:25][c:26]1[cH:27][cH:28][c:29]([S:32]([NH2:33])(=[O:34])=[O:35])[cH:30][cH:31]1.[NH:15]1[C:16](=[O:24])[CH2:17][c:18]2[c:19]1[n:20][cH:21][cH:22][cH:23]2.[Na+:45].[O-:41][C:42]([OH:43])=[O:44].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:54]>>[CH:1](=[C:17]1[C:16](=[O:24])[NH:15][c:19]2[c:18]1[cH:23][cH:22][cH:21][n:20]2)[NH:25][c:26]1[cH:27][cH:28][c:29]([S:32]([NH2:33])(=[O:34])=[O:35])[cH:30][cH:31]1