HRID1551456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

结构：Nc1cc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)ccc1O

HCID178507629

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(CC(NS(=O)(=O)c2ccccc2)C(=O)NCCCCc2ccccc2)ccc1O

HCID178482169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f19916f69a3448cbba9b85ba7f8d926
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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