HRID206047

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID65367

Methanesulfonic acid, trifluoro-, trimethylsilyl ester

C4H9F3O3SSi

HCID74578

Trimethyl(1-methylethoxy)silane

C6H16OSi

HCID11804802

N-(2-hydroxy-1-hydroxymethylethyl)acetamide

C5H11NO3

结构：CCOC(=O)C1=CC(OC)(OC)CCC1S(=O)(=O)Nc1ccc(F)cc1Cl

HCID67192731

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OCC(NC(C)=O)CO2

HCID16659748

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c8af5bf2a7c4fe5b4e5c0fdfa56a4ad
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

[CH:37]([O:38][Si:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[c:3]([NH:9][S:10](=[O:11])(=[O:12])[CH:13]2[CH2:14][CH2:15][C:16]([O:24][CH3:25])([O:26][CH3:27])[CH:17]=[C:18]2[C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Cl:62][CH2:63][Cl:64].[F:45][C:46]([F:47])([F:48])[S:49]([O:50][Si:51]([CH3:52])([CH3:53])[CH3:54])(=[O:55])=[O:56].[Na+:57].[OH:28][CH2:29][CH:30]([CH2:31][OH:32])[NH:33][C:34]([CH3:35])=[O:36].[OH:58][C:59](=[O:60])[O-:61]>>[Cl:1][c:2]1[c:3]([NH:9][S:10](=[O:11])(=[O:12])[CH:13]2[CH2:14][CH2:15][C:16]3([CH:17]=[C:18]2[C:19](=[O:20])[O:21][CH2:22][CH3:23])[O:24][CH2:25][CH:30]([NH:33][C:34]([CH3:35])=[O:36])[CH2:27][O:26]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1