HRID105102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID3787675

Pyridine-2-sulfonyl Chloride

C5H4ClNO2S

HCID14423406

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(NC(=O)OC(C)(C)C)C(O)CNS(=O)(=O)c1ccccn1

HCID178465449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79417790c3ac4169b1a3bce0cfb1ca37
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:29](=[O:30])([OH:31])[O-:32].[Cl:44][CH2:45][Cl:46].[NH2:15][CH2:16][CH:17]([OH:18])[CH:19]([NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH3:28].[NH2:1][CH2:2][CH:3]([CH:4]([CH3:5])[NH:6][C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[OH:14].[Na+:33].[OH2:47].[n:34]1[c:35]([S:40](=[O:41])(=[O:42])[Cl:43])[cH:36][cH:37][cH:38][cH:39]1>>[NH:1]([CH2:2][CH:3]([CH:4]([CH3:5])[NH:6][C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[OH:14])[S:40]([c:35]1[n:34][cH:39][cH:38][cH:37][cH:36]1)(=[O:41])=[O:42]